Geometry & MOs

Info

ID:	219604
PubChem CID:	85149441
Reduced:	FS2N4O4H29C31 (1)
Stoich.:	AB2C4D4E29F31 (1)
Weight, g/mol:	606.522325
ΔH_f, kcal/mol:	-55.4
Dipole, Da:	6.2
IP(EA), eV:	-9.1(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-2-octadec-10-enoyloxyethyl) octadec-10-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)F)C(=O)NCC(C2=CC=CC=C2)C3=CC=CC=C3)SSC4=C(C=CC=N4)[N+](=O)[O-]

DOS

IR

Vibrations