Geometry & MOs

Info

ID:	189318
PubChem CID:	77840375
Reduced:	SN5O6C20H27 (1)
Stoich.:	AB5C6D20E27 (1)
Weight, g/mol:	392.277404
ΔH_f, kcal/mol:	-142.11
Dipole, Da:	6.11
IP(EA), eV:	-9.73(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl] dodecanoate;ethanol

Drug info:

PubChemData

Smile

CC(C1C2N(C1=O)CC(S2)(CCCCN3C=NN=N3)C(=O)OCC=C)OC(=O)OCC=C

DOS

IR

Vibrations