Geometry & MOs

Info

ID:	87331
PubChem CID:	49894100
Reduced:	SN3O7H13C18 (1)
Stoich.:	AB3C7D13E18 (1)
Weight, g/mol:	377.069734
ΔH_f, kcal/mol:	-71.04
Dipole, Da:	6.8
IP(EA), eV:	-9.65(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)/SC2=O

DOS

IR

Vibrations