Geometry & MOs

Info

ID:	43082
PubChem CID:	10318368
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	392.277404
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	7.82
IP(EA), eV:	-8.49(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-(2-dodecoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(CC1)C2=NC=C(C=C2)C(=O)N3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations