Geometry & MOs

Info

ID:	440181
PubChem CID:	135230091
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	689.625685
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	4.4
IP(EA), eV:	-10.12(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[2-[2-[(Z)-heptadec-8-enyl]-3-(3-sulfanylpropyl)imidazolidin-1-yl]ethyl]octadec-9-enamide

Drug info:

PubChemData

Smile

CC(C)C(=O)CON1C(=O)C=CC1=O

DOS

IR

Vibrations