Geometry & MOs

Info

ID:	171047
PubChem CID:	75317231
Reduced:	ClN2S2O4H19C22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	472.956135
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	1.03
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-ethoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)C(=CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)SC2=O

DOS

IR

Vibrations