Geometry & MOs

Info

ID:	196683
PubChem CID:	78863781
Reduced:	SO3N4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	7.79
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(S4)NC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations