Geometry & MOs

Info

ID:	168672
PubChem CID:	75000283
Reduced:	N5O7C32H47 (1)
Stoich.:	A5B7C32D47 (1)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	-290.34
Dipole, Da:	6.68
IP(EA), eV:	-8.8(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(8-chloro-2-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OC)O)NC(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations