Geometry & MOs

Info

ID:	87198
PubChem CID:	49893011
Reduced:	ClSN2O4H21C25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	532.99252
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	9.2
IP(EA), eV:	-8.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations