Geometry & MOs

Info

ID:	250874
PubChem CID:	103099663
Reduced:	ClNS2O6C10H12 (1)
Stoich.:	ABC2D6E10F12 (1)
Weight, g/mol:	344.989628
ΔH_f, kcal/mol:	-233.37
Dipole, Da:	10.18
IP(EA), eV:	-10.06(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl

DOS

IR

Vibrations