Geometry & MOs

Info

ID:	396290
PubChem CID:	135027941
Reduced:	NOC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	2.72
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3aS,4R,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]-2-(benzenesulfonyl)ethanol

Drug info:

PubChemData

Smile

CCCC[C@@]1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)CC=C

DOS

IR

Vibrations