Geometry & MOs

Info

ID:	380317
PubChem CID:	134970727
Reduced:	SO5C22H26 (1)
Stoich.:	AB5C22D26 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-162.93
Dipole, Da:	1.17
IP(EA), eV:	-8.65(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8aS)-7-azido-6-ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations