Geometry & MOs

Info

ID:	395656
PubChem CID:	135026140
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	428.313789
ΔH_f, kcal/mol:	-188.34
Dipole, Da:	2.94
IP(EA), eV:	-9.5(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 7,11,15-trimethyl-3-oxohexadec-6-enoate

Drug info:

PubChemData

Smile

CCOC1C(C[C@@H](N1C(=O)OCC2=CC=CC=C2)C(=O)OC)CC=C

DOS

IR

Vibrations