Geometry & MOs

Info

ID:	44901
PubChem CID:	10506456
Reduced:	NPSO7C26H32 (1)
Stoich.:	ABCD7E26F32 (1)
Weight, g/mol:	533.195071
ΔH_f, kcal/mol:	-320.14
Dipole, Da:	2.36
IP(EA), eV:	-8.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-[[2-(2-methylphenyl)benzoyl]amino]benzoyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC4=C(C=C3C(=O)[C@@H](S2)C(C)C)OCO4)OCC

DOS

IR

Vibrations