Geometry & MOs

Info

ID:	45821
PubChem CID:	10517878
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-124.12
Dipole, Da:	7.0
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,6S,7R,7aR)-2,2,4-trimethyl-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CNC=C1S(=O)(=O)C2=CC=CC=C2N

DOS

IR

Vibrations