Geometry & MOs

Info

ID:	335022
PubChem CID:	127253828
Reduced:	N3O5H19C25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	1.87
IP(EA), eV:	-8.19(-1.55)
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-[2-(1-propan-2-ylindol-3-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC(=O)NC5=CC=CC=N5)OC

DOS

IR

Vibrations