Geometry & MOs

Info

ID:	86828
PubChem CID:	49889548
Reduced:	SCl2N2O4H20C25 (1)
Stoich.:	AB2C2D4E20F25 (1)
Weight, g/mol:	548.987435
ΔH_f, kcal/mol:	-98.19
Dipole, Da:	10.03
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations