Geometry & MOs

Info

ID:	300527
PubChem CID:	121360420
Reduced:	NS2O5H13C14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	379.054815
ΔH_f, kcal/mol:	-146.24
Dipole, Da:	6.04
IP(EA), eV:	-8.95(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(5Z)-5-[(2,6-dimethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)OC)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O

DOS

IR

Vibrations