Geometry & MOs

Info

ID:	355807
PubChem CID:	127290659
Reduced:	SO2N7C17H23 (1)
Stoich.:	AB2C7D17E23 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	14.87
Dipole, Da:	5.21
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-1-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)S(=O)(=O)N3CCN(CC3)CC4=NC=CN4C)C

DOS

IR

Vibrations