Geometry & MOs

Info

ID:	391791
PubChem CID:	135009629
Reduced:	O3C8H14 (2)
Stoich.:	A3B8C14 (2)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-289.02
Dipole, Da:	3.11
IP(EA), eV:	-9.66(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-2-(4-methylphenyl)sulfonyl-2-azabicyclo[4.1.0]heptane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)O[C@@H]([C@@H](CC=C)O)[C@@H]([C@H]1COC(O1)(C)C)OC(=O)C

DOS

IR

Vibrations