Geometry & MOs

Info

ID:	250895
PubChem CID:	103099779
Reduced:	ClNS2F3O4C9H9 (1)
Stoich.:	ABC2D3E4F9G9 (1)
Weight, g/mol:	308.989628
ΔH_f, kcal/mol:	-308.12
Dipole, Da:	2.59
IP(EA), eV:	-9.43(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N(CC(=O)O)CC(F)(F)F)Cl

DOS

IR

Vibrations