Geometry & MOs

Info

ID:	87440
PubChem CID:	49894646
Reduced:	SN2O5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	521.089286
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	3.16
IP(EA), eV:	-9.43(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations