Geometry & MOs

Info

ID:	88162
PubChem CID:	49901957
Reduced:	BrNSCl2O5H18C26 (1)
Stoich.:	ABCD2E5F18G26 (1)
Weight, g/mol:	463.00891
ΔH_f, kcal/mol:	-123.35
Dipole, Da:	4.06
IP(EA), eV:	-9.24(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2,4,5-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)Cl)Br)OC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations