Geometry & MOs

Info

ID:	414041
PubChem CID:	135086994
Reduced:	NOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	892.751991
ΔH_f, kcal/mol:	-21.84
Dipole, Da:	4.02
IP(EA), eV:	-8.06(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-4-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxybutyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C(=C/SC)/NC(=O)C

DOS

IR

Vibrations