Geometry & MOs

Info

ID:	87487
PubChem CID:	49894944
Reduced:	ClNSO4H22C26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	568.03037
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	5.91
IP(EA), eV:	-8.96(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=C(C(=CC=C3)OC)OCC4=CC(=CC=C4)Cl)/SC2=O

DOS

IR

Vibrations