Geometry & MOs

Info

ID:	88395
PubChem CID:	49903255
Reduced:	BrNSO2H16C19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	647.93883
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	4.22
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br

DOS

IR

Vibrations