Geometry & MOs

Info

ID:	408847
PubChem CID:	135081617
Reduced:	BNSO3C20H28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	474.392039
ΔH_f, kcal/mol:	-162.39
Dipole, Da:	4.15
IP(EA), eV:	-9.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,6S)-6-[(3S)-4-hexadecoxy-3-methoxybutyl]-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

B1(N([C@@]2([C@H]3CC[C@@]([C@@H]2O1)(C3(C)C)C)C4=CC=CC=C4)S(=O)(=O)C)CC=C

DOS

IR

Vibrations