Geometry & MOs

Info

ID:	87326
PubChem CID:	49894032
Reduced:	SN4O6H16C23 (1)
Stoich.:	AB4C6D16E23 (1)
Weight, g/mol:	395.119129
ΔH_f, kcal/mol:	-55.7
Dipole, Da:	5.95
IP(EA), eV:	-9.08(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations