Geometry & MOs

Info

ID:	87790
PubChem CID:	49897369
Reduced:	SN3O5H13C18 (1)
Stoich.:	AB3C5D13E18 (1)
Weight, g/mol:	390.088557
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	8.7
IP(EA), eV:	-8.83(-1.85)
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] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations