Geometry & MOs

Info

ID:	368182
PubChem CID:	127327733
Reduced:	SO2N4C15H26 (1)
Stoich.:	AB2C4D15E26 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	3.08
IP(EA), eV:	-9.3(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC1CC1)S(=O)(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations