Geometry & MOs

Info

ID:	158107
PubChem CID:	56462993
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	426.122498
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	4.39
IP(EA), eV:	-9.41(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4,4,4-trifluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CN3C=CN=C3C=C2

DOS

IR

Vibrations