Geometry & MOs

Info

ID:	355831
PubChem CID:	127290683
Reduced:	ClNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	315.150429
ΔH_f, kcal/mol:	-181.04
Dipole, Da:	8.34
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(oxan-3-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1CC(COC1)NS(=O)(=O)C2=C(C=C3C(=C2)OCCO3)Cl

DOS

IR

Vibrations