Geometry & MOs

Info

ID:	87295
PubChem CID:	49893807
Reduced:	ClSN2O6H19C26 (1)
Stoich.:	ABC2D6E19F26 (1)
Weight, g/mol:	528.021656
ΔH_f, kcal/mol:	-156.48
Dipole, Da:	9.93
IP(EA), eV:	-8.83(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations