Geometry & MOs

Info

ID:	141305
PubChem CID:	52857754
Reduced:	ClSN2O4C14H19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	444.144296
ΔH_f, kcal/mol:	-117.76
Dipole, Da:	7.08
IP(EA), eV:	-9.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpyrazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)Cl)C2CC2

DOS

IR

Vibrations