Geometry & MOs

Info

ID:	87571
PubChem CID:	49895572
Reduced:	SN2O5H24C27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	523.04529
ΔH_f, kcal/mol:	-115.63
Dipole, Da:	3.72
IP(EA), eV:	-9.07(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-bromophenyl)methoxy]-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)OCC(=O)NC4=CC=CC=C4)OC)/SC2=O

DOS

IR

Vibrations