Geometry & MOs

Info

ID:	418016
PubChem CID:	135103319
Reduced:	SN7O8C29H45 (1)
Stoich.:	AB7C8D29E45 (1)
Weight, g/mol:	550.242749
ΔH_f, kcal/mol:	-353.14
Dipole, Da:	11.79
IP(EA), eV:	-9.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[3-(2-oxopiperidin-1-yl)propanoyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

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

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCNS(=O)(=O)C)C)CC2=CC=CC=C2

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

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCNS(=O)(=O)C)C)CC2=CC=CC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):