Geometry & MOs

Info

ID:	87675
PubChem CID:	49896463
Reduced:	ClSN2O4H23C27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	402.140199
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	1.62
IP(EA), eV:	-8.99(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)NC4=CC=CC(=C4)C)Cl)/SC2=O

DOS

IR

Vibrations