Geometry & MOs

Info

ID:	171305
PubChem CID:	75356661
Reduced:	N2O6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	417.143704
ΔH_f, kcal/mol:	-177.51
Dipole, Da:	4.26
IP(EA), eV:	-9.06(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=C(C=C1)C(=O)O)C2=C(NNC2=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations