Geometry & MOs

Info

ID:	336027
PubChem CID:	127255034
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	482.195405
ΔH_f, kcal/mol:	5.85
Dipole, Da:	4.15
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CC(=C2)NC(=O)CCCN3C=CC=C3)N=N1

DOS

IR

Vibrations