Geometry & MOs

Info

ID:	87713
PubChem CID:	49896751
Reduced:	ClNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	310.077599
ΔH_f, kcal/mol:	-78.5
Dipole, Da:	2.26
IP(EA), eV:	-9.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3-methylphenyl)methyl]-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)O)/SC2=O

DOS

IR

Vibrations