Geometry & MOs

Info

ID:	383469
PubChem CID:	134975210
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	566.418254
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	2.9
IP(EA), eV:	-8.91(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(2R,6S)-2,6-dihydroxy-6-[(2S,6R)-6-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxan-2-yl]hexyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)/C=C/1\CCC(O1)(C)C

DOS

IR

Vibrations