Geometry & MOs

Info

ID:	128439
PubChem CID:	51044429
Reduced:	ClON3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	363.083076
ΔH_f, kcal/mol:	72.76
Dipole, Da:	6.9
IP(EA), eV:	-9.49(-1.04)
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-(3,4,5-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN(C(=O)C=C2)CC3=CC=C(C=C3)C#N)Cl

DOS

IR

Vibrations