Geometry & MOs

Info

ID:	88204
PubChem CID:	49902278
Reduced:	BrNSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	548.987435
ΔH_f, kcal/mol:	-43.88
Dipole, Da:	4.27
IP(EA), eV:	-8.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations