Geometry & MOs

Info

ID:	366737
PubChem CID:	127320266
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	366.172562
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	7.85
IP(EA), eV:	-9.53(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-1-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations