Geometry & MOs

Info

ID:	10929
PubChem CID:	109160
Reduced:	F3O3N5H14C18 (1)
Stoich.:	A3B3C5D14E18 (1)
Weight, g/mol:	405.104874
ΔH_f, kcal/mol:	-182.77
Dipole, Da:	7.08
IP(EA), eV:	-8.59(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[2-(trifluoromethyl)phenyl]diazenyl]butanamide

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations