Geometry & MOs

Info

ID:	88297
PubChem CID:	49902815
Reduced:	BrClNSO4H13C18 (1)
Stoich.:	ABCDE4F13G18 (1)
Weight, g/mol:	634.88205
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	1.88
IP(EA), eV:	-9.12(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)Cl)O

DOS

IR

Vibrations