Geometry & MOs

Info

ID:	87971
PubChem CID:	49899183
Reduced:	NSO6H21C25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	529.111457
ΔH_f, kcal/mol:	-165.49
Dipole, Da:	5.9
IP(EA), eV:	-8.9(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC(=O)O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations