Geometry & MOs

Info

ID:	168812
PubChem CID:	75022051
Reduced:	NO16C24H31 (1)
Stoich.:	AB16C24D31 (1)
Weight, g/mol:	428.114104
ΔH_f, kcal/mol:	-589.8
Dipole, Da:	6.85
IP(EA), eV:	-9.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-3-hydroxy-6-(4-methoxyphenyl)sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC3C(C(C(C(O3)CO)O)O)O

DOS

IR

Vibrations