Geometry & MOs

Info

ID:	171202
PubChem CID:	75343459
Reduced:	SN2O6H28C29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	511.075944
ΔH_f, kcal/mol:	-161.78
Dipole, Da:	3.68
IP(EA), eV:	-8.88(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC(=C3)C)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations