Geometry & MOs

Info

ID:	87056
PubChem CID:	49891334
Reduced:	SN3O8H23C24 (1)
Stoich.:	AB3C8D23E24 (1)
Weight, g/mol:	391.018429
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	4.83
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations