Geometry & MOs

Info

ID:	182560
PubChem CID:	76906513
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	5.66
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methyl-3-(pentylsulfamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC=CC(=C1)C=CC(=O)O

DOS

IR

Vibrations