Geometry & MOs

Info

ID:	36485
PubChem CID:	8007430
Reduced:	SCl2N2O4H11C17 (1)
Stoich.:	AB2C2D4E11F17 (1)
Weight, g/mol:	408.981658
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	23.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.091526
Charge, e:	-1

Chem-info

IUPAC name:

3-[[(5S)-5-(2,5-dichloroanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)[O-])CN2C(=O)[C@@H](SC2=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations