Geometry & MOs

Info

ID:	397689
PubChem CID:	135030580
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	688.433904
ΔH_f, kcal/mol:	-188.22
Dipole, Da:	1.9
IP(EA), eV:	-9.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-[(2R,5R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexadecanal

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@@H]1/C(=C\3/C(=O)[C@@H](N(C3=O)C)[C@@H](C)O)/O

DOS

IR

Vibrations