Geometry & MOs

Info

ID:	133556
PubChem CID:	51547981
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	411.036383
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	6.07
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations