Geometry & MOs

Info

ID:	86672
PubChem CID:	49888395
Reduced:	BrSN2O5H25C28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	419.059422
ΔH_f, kcal/mol:	-119.41
Dipole, Da:	3.74
IP(EA), eV:	-8.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)Br)OCC(=O)NC4=CC=CC(=C4)C

DOS

IR

Vibrations