Geometry & MOs

Info

ID:	335599
PubChem CID:	127254461
Reduced:	O4N5C24H25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-81.91
Dipole, Da:	2.07
IP(EA), eV:	-9.12(-0.46)
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-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=C(NN=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations