Geometry & MOs

Info

ID:	88225
PubChem CID:	49902430
Reduced:	NSBr2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	652.90001
ΔH_f, kcal/mol:	-68.53
Dipole, Da:	4.23
IP(EA), eV:	-9.25(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations