Geometry & MOs

Info

ID:	86670
PubChem CID:	49888393
Reduced:	ClNSO3C29H30 (1)
Stoich.:	ABCD3E29F30 (1)
Weight, g/mol:	415.124215
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	6.42
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)/C=C\5/C(=O)N(C(=O)S5)CC6=CC=C(C=C6)Cl

DOS

IR

Vibrations