Geometry & MOs

Info

ID:	173703
PubChem CID:	75671971
Reduced:	ClFSN2O3H15C21 (1)
Stoich.:	ABCD2E3F15G21 (1)
Weight, g/mol:	430.055419
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	3.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107422
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(2-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)[N-]C3=CC=CC=C3Cl)F

DOS

IR

Vibrations