Geometry & MOs

Info

ID:	168198
PubChem CID:	74936597
Reduced:	OS2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	447.334859
ΔH_f, kcal/mol:	36.34
Dipole, Da:	5.13
IP(EA), eV:	-8.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-oxooctadecyl)-3-piperidin-2-ylideneoxolane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC=C(COC2=CC=CC=C2)SC3=CC=C(C=C3)C

DOS

IR

Vibrations