Geometry & MOs

Info

ID:	202447
PubChem CID:	79673469
Reduced:	NSO4C9H17 (1)
Stoich.:	ABC4D9E17 (1)
Weight, g/mol:	285.067094
ΔH_f, kcal/mol:	-176.66
Dipole, Da:	2.63
IP(EA), eV:	-10.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-hydroxyphenyl)-2-(prop-2-enylsulfonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)O)NS(=O)(=O)CC=C

DOS

IR

Vibrations