Geometry & MOs

Info

ID:	88279
PubChem CID:	49902725
Reduced:	BrSN2O6H13C18 (1)
Stoich.:	ABC2D6E13F18 (1)
Weight, g/mol:	602.95376
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	7.11
IP(EA), eV:	-9.56(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations