Geometry & MOs

Info

ID:	88416
PubChem CID:	49903365
Reduced:	ClNSBr2O5H18C26 (1)
Stoich.:	ABCD2E5F18G26 (1)
Weight, g/mol:	542.99067
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	1.77
IP(EA), eV:	-9.34(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-bromophenyl)methyl]-5-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]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=C3Br)Br)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations