Geometry & MOs

Info

ID:	143951
PubChem CID:	53286596
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	414.122498
ΔH_f, kcal/mol:	-151.34
Dipole, Da:	7.39
IP(EA), eV:	-8.6(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CCCC(=O)NC2=CC(=C(C=C2)C)C)S(=O)(=O)C

DOS

IR

Vibrations