Geometry & MOs

Info

ID:	222728
PubChem CID:	85332173
Reduced:	N5O5C26H31 (1)
Stoich.:	A5B5C26D31 (1)
Weight, g/mol:	493.21139
ΔH_f, kcal/mol:	-141.08
Dipole, Da:	6.68
IP(EA), eV:	-9.05(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1H-indol-3-yl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)NO)C(=O)OC(C)(C)C

DOS

IR

Vibrations