Geometry & MOs

Info

ID:	153784
PubChem CID:	56313095
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	402.224261
ΔH_f, kcal/mol:	-53.28
Dipole, Da:	4.47
IP(EA), eV:	-8.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4CC4

DOS

IR

Vibrations