Geometry & MOs

Info

ID:	51724
PubChem CID:	12014452
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	26.32
Dipole, Da:	3.56
IP(EA), eV:	-9.59(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(1S,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(CC=O)C#CCC1=CC=CC=C1

DOS

IR

Vibrations