Geometry & MOs

Info

ID:	350582
PubChem CID:	127278617
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	398.198777
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	5.66
IP(EA), eV:	-9.22(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methyl-N-(oxan-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCC(C2)C(=O)N3CC4CCC3C4

DOS

IR

Vibrations