Geometry & MOs

Info

ID:	26322
PubChem CID:	644171
Reduced:	NPC11O12H20 (1)
Stoich.:	ABC11D12E20 (1)
Weight, g/mol:	679.684246
ΔH_f, kcal/mol:	-611.91
Dipole, Da:	2.99
IP(EA), eV:	-10.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexacosanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H](C[C@@](O[C@@H]1C(C(COP(=O)(O)O)O)O)(C(=O)O)O)O

DOS

IR

Vibrations