Geometry & MOs

Info

ID:	88174
PubChem CID:	49902168
Reduced:	SN2O6H20C25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	542.99067
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	4.97
IP(EA), eV:	-9.1(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCOC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations