Geometry & MOs

Info

ID:	242950
PubChem CID:	99214433
Reduced:	N2O2F3H15C19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	481.086305
ΔH_f, kcal/mol:	-149.23
Dipole, Da:	7.68
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-N-(5-cyano-2-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)/C=C\C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations