Geometry & MOs

Info

ID:	86607
PubChem CID:	49887563
Reduced:	ClSN2O2C21H21 (1)
Stoich.:	ABC2D2E21F21 (1)
Weight, g/mol:	674.88408
ΔH_f, kcal/mol:	-40.63
Dipole, Da:	7.7
IP(EA), eV:	-8.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations