Geometry & MOs

Info

ID:	87743
PubChem CID:	49896980
Reduced:	SN3O6H15C19 (1)
Stoich.:	AB3C6D15E19 (1)
Weight, g/mol:	488.071193
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	3.82
IP(EA), eV:	-9.07(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations