Geometry & MOs

Info

ID:	86772
PubChem CID:	49889165
Reduced:	ClNSO7H14C23 (1)
Stoich.:	ABCD7E14F23 (1)
Weight, g/mol:	468.05467
ΔH_f, kcal/mol:	-194.04
Dipole, Da:	3.29
IP(EA), eV:	-9.56(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)/SC2=O)Cl

DOS

IR

Vibrations