Geometry & MOs

Info

ID:	202444
PubChem CID:	79672949
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	255.056529
ΔH_f, kcal/mol:	-126.16
Dipole, Da:	4.52
IP(EA), eV:	-8.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(prop-2-enylsulfonylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC(=O)C2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations