Geometry & MOs

Info

ID:	334603
PubChem CID:	127253278
Reduced:	N5O6C37H45 (1)
Stoich.:	A5B6C37D45 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	8.01
IP(EA), eV:	-8.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCCC1=NC2=CC=CC=C2N1)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations