Geometry & MOs

Info

ID:	86689
PubChem CID:	49888519
Reduced:	ClSN2O4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	470.033935
ΔH_f, kcal/mol:	-108.94
Dipole, Da:	6.53
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations