Geometry & MOs

Info

ID:	415161
PubChem CID:	135088152
Reduced:	N3O3C17H23 (2)
Stoich.:	A3B3C17D23 (2)
Weight, g/mol:	699.338047
ΔH_f, kcal/mol:	-253.54
Dipole, Da:	5.45
IP(EA), eV:	-9.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-15-(1H-imidazol-5-ylmethyl)-4-(3-methoxypropanoyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(=O)N1C[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1)CC2=CC=CC=C2)C)C)C(C)C)C)C3=CC=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(=O)N1C[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C1)CC2=CC=CC=C2)C)C)C(C)C)C)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):