Geometry & MOs

Info

ID:

196015

PubChem CID:

78766605

Reduced:

N3O3C22H27 (1)

Stoich.:

A3B3C22D27 (1)

Weight, g/mol:

347.060312

ΔHf, kcal/mol:

-42.4

Dipole, Da:

5.36

IP(EA), eV:

-8.26(-0.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=N/OCC(=O)NC2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations