Geometry & MOs

Info

ID:	182561
PubChem CID:	76907258
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	331.064507
ΔH_f, kcal/mol:	-154.06
Dipole, Da:	5.78
IP(EA), eV:	-9.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-chloro-4-(pentan-2-ylsulfamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)O)C

DOS

IR

Vibrations