Geometry & MOs

Info

ID:	87777
PubChem CID:	49897267
Reduced:	SN3O7H15C16 (1)
Stoich.:	AB3C7D15E16 (1)
Weight, g/mol:	533.056272
ΔH_f, kcal/mol:	-132.71
Dipole, Da:	6.54
IP(EA), eV:	-9.57(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CN2C(=O)/C(=C/C=C/C3=CC=C(O3)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations