Geometry & MOs

Info

ID:	390085
PubChem CID:	134996990
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	696.478516
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	3.45
IP(EA), eV:	-9.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-heptadecyl-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,7-diol

Drug info:

PubChemData

Smile

CCCCCCCC1=C(N=C(O1)C2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations