Geometry & MOs

Info

ID:	86679
PubChem CID:	49888469
Reduced:	SN2O5H24C27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	515.026407
ΔH_f, kcal/mol:	-112.64
Dipole, Da:	2.07
IP(EA), eV:	-8.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations