Geometry & MOs

Info

ID:	10945
PubChem CID:	109335
Reduced:	ClF3O3N5H13C18 (1)
Stoich.:	AB3C3D5E13F18 (1)
Weight, g/mol:	439.065901
ΔH_f, kcal/mol:	-190.38
Dipole, Da:	4.24
IP(EA), eV:	-8.71(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations