Geometry & MOs

Info

ID:	87236
PubChem CID:	49893394
Reduced:	BrClSN2O2H20C24 (1)
Stoich.:	ABCD2E2F20G24 (1)
Weight, g/mol:	548.987435
ΔH_f, kcal/mol:	-22.85
Dipole, Da:	8.27
IP(EA), eV:	-8.56(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations