Geometry & MOs

Info

ID:	219331
PubChem CID:	85098790
Reduced:	N3O9C45H77 (1)
Stoich.:	A3B9C45D77 (1)
Weight, g/mol:	804.575149
ΔH_f, kcal/mol:	-510.54
Dipole, Da:	5.15
IP(EA), eV:	-9.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-octadec-9-enoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] icosa-5,8,11,14-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CCCCCCCCCCCCC)CO)O)O

DOS

IR

Vibrations