Geometry & MOs

Info

ID:	86531
PubChem CID:	49886671
Reduced:	NSO5H19C25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	499.041185
ΔH_f, kcal/mol:	-101.08
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations