Geometry & MOs

Info

ID:	299962
PubChem CID:	118043428
Reduced:	IS2F3O3N4C17H20 (1)
Stoich.:	AB2C3D3E4F17G20 (1)
Weight, g/mol:	434.042724
ΔH_f, kcal/mol:	-154.64
Dipole, Da:	5.51
IP(EA), eV:	-8.9(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-prop-2-ynyl-3-(2,2,2-trifluoroethylsulfonyl)propanamide

Drug info:

PubChemData

Smile

CCN(C1=CN(N=C1I)C2=C[N+](=CC=C2)[O-])C(=S)CCS(=O)(=O)CCCC(F)(F)F

DOS

IR

Vibrations