Geometry & MOs

Info

ID:	417327
PubChem CID:	135092212
Reduced:	NSCl2O5C13H15 (1)
Stoich.:	ABC2D5E13F15 (1)
Weight, g/mol:	726.374098
ΔH_f, kcal/mol:	-219.35
Dipole, Da:	7.82
IP(EA), eV:	-10.13(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R,9S,15R)-9-benzyl-4-(5,6-dimethylpyridine-3-carbonyl)-13-(2-methoxyethyl)-15-(2-methylpropyl)-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

CC1=CC(=C(C=C1S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O)Cl)Cl

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

CC1=CC(=C(C=C1S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O)Cl)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):