Geometry & MOs

Info

ID:	48398
PubChem CID:	10544442
Reduced:	SiO4C17H34 (1)
Stoich.:	AB4C17D34 (1)
Weight, g/mol:	331.272259
ΔH_f, kcal/mol:	-226.34
Dipole, Da:	4.57
IP(EA), eV:	-9.56(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-nitrooctadecane-1,3-diol

Drug info:

PubChemData

Smile

C[C@H](/C=C/[Si](C)(C)C)[C@H]1C[C@H](C[C@@H](O1)OC)CC(OC)OC

DOS

IR

Vibrations