Geometry & MOs

Info

ID:	159087
PubChem CID:	57260139
Reduced:	FSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	560.553232
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	1.27
IP(EA), eV:	-8.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadec-17-enyl 2-ethenyloctadecanoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2N3C(=C4CCCCC4=C3O)O)F)NC1=O)SC

DOS

IR

Vibrations