Geometry & MOs

Info

ID:	245427
PubChem CID:	99444642
Reduced:	SF3O3N4H21C23 (1)
Stoich.:	AB3C3D4E21F23 (1)
Weight, g/mol:	432.052226
ΔH_f, kcal/mol:	-168.42
Dipole, Da:	2.37
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CSC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations