Geometry & MOs

Info

ID:	177142
PubChem CID:	76141242
Reduced:	NCl2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	958.783685
ΔH_f, kcal/mol:	-176.67
Dipole, Da:	4.98
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(12-hydroxyoctadec-9-enoyloxy)-2-[1-(12-hydroxyoctadec-9-enoyloxy)cyclopropyl]ethyl] 12-hydroxyoctadec-9-enoate

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)C(=O)O)OC3=C(C2=O)CCC3=CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations