Geometry & MOs

Info

ID:	157426
PubChem CID:	56424124
Reduced:	SO2N3C25H35 (1)
Stoich.:	AB2C3D25E35 (1)
Weight, g/mol:	366.119127
ΔH_f, kcal/mol:	-69.3
Dipole, Da:	1.85
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CCC2=C(C1)C=CS2)NC(=O)C3=CC=C(C=C3)CN(CC)C(C)C

DOS

IR

Vibrations