Geometry & MOs

Info

ID:	66166
PubChem CID:	46500360
Reduced:	F3N4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	379.099063
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	4.92
IP(EA), eV:	-8.8(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-nitro-4-pyridin-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)N=C(N=C2C(F)(F)F)N/N=C/C3=CC=CC=C3

DOS

IR

Vibrations