Geometry & MOs

Info

ID:	56306
PubChem CID:	17425041
Reduced:	F3N3O4C24H30 (1)
Stoich.:	A3B3C4D24E30 (1)
Weight, g/mol:	359.159354
ΔH_f, kcal/mol:	-273.04
Dipole, Da:	10.37
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-imidazol-1-yl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=C(C(=C(C=C1)OC)OC)OC)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

DOS

IR

Vibrations