Geometry & MOs

Info

ID:	250870
PubChem CID:	103099634
Reduced:	ClN2S2O4C12H17 (1)
Stoich.:	AB2C2D4E12F17 (1)
Weight, g/mol:	339.036578
ΔH_f, kcal/mol:	-140.6
Dipole, Da:	3.05
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-4-methylthiophen-2-yl)sulfonyl-propan-2-ylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)O)Cl

DOS

IR

Vibrations