Geometry & MOs

Info

ID:	391856
PubChem CID:	135010269
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	482.248851
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	3.85
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(3aR,7aS)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2-yl]-2-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N(C(=S)N1)CC2=CC=CO2

DOS

IR

Vibrations