Geometry & MOs

Info

ID:	396291
PubChem CID:	135027956
Reduced:	NSO5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-203.32
Dipole, Da:	5.49
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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

CC1(O[C@@H]2CN[C@H]([C@@H]2O1)[C@H](CO)S(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations