Geometry & MOs

Info

ID:	87285
PubChem CID:	49893673
Reduced:	SN2O7H18C21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	602.95376
ΔH_f, kcal/mol:	-152.66
Dipole, Da:	2.8
IP(EA), eV:	-9.27(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations