Geometry & MOs

Info

ID:	60457
PubChem CID:	26688161
Reduced:	ClNOF4H8C14 (1)
Stoich.:	ABCD4E8F14 (1)
Weight, g/mol:	446.174967
ΔH_f, kcal/mol:	-208.6
Dipole, Da:	7.0
IP(EA), eV:	-9.44(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Cl)F)C(F)(F)F

DOS

IR

Vibrations