Geometry & MOs

Info

ID:	365797
PubChem CID:	127318522
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	318.161329
ΔH_f, kcal/mol:	-9.47
Dipole, Da:	3.86
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC(=N2)C(=O)N3CCOCC3CC(C)C)C4=CC=CC=C4

DOS

IR

Vibrations