Geometry & MOs

Info

ID:	210017
PubChem CID:	80751028
Reduced:	SN2O4C7H12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	312.957849
ΔH_f, kcal/mol:	-170.96
Dipole, Da:	4.17
IP(EA), eV:	-9.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1C(NCS1)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations