Geometry & MOs

Info

ID:	335692
PubChem CID:	127254554
Reduced:	O3N5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-16.46
Dipole, Da:	2.48
IP(EA), eV:	-9.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCCN5C=CC=N5

DOS

IR

Vibrations