Geometry & MOs

Info

ID:	369825
PubChem CID:	127336202
Reduced:	N2S2O3C15H28 (1)
Stoich.:	A2B2C3D15E28 (1)
Weight, g/mol:	370.203862
ΔH_f, kcal/mol:	-146.51
Dipole, Da:	4.19
IP(EA), eV:	-8.44(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-ylsulfonyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1NC2CCSCC2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations