Geometry & MOs

Info

ID:	60459
PubChem CID:	26697034
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	446.174967
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	2.84
IP(EA), eV:	-8.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCN3CCOCC3

DOS

IR

Vibrations