Geometry & MOs

Info

ID:

219896

PubChem CID:

85165019

Reduced:

N7O11C25H39 (1)

Stoich.:

A7B11C25D39 (1)

Weight, g/mol:

617.300205

ΔHf, kcal/mol:

-413.72

Dipole, Da:

5.68

IP(EA), eV:

 -9.51(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,4-dioxo-5-phenyl-3-[(4-phenylpyrazolidin-3-yl)methyl]-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C=C(OC1C(C2COC(=O)O2)OC(=O)NCCNCCCCNC(=O)OC(C)(C)C)C(=O)OC)N=[N+]=[N-]

DOS

IR

Vibrations