Geometry & MOs

Info

ID:	228096
PubChem CID:	87563434
Reduced:	ClSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	671.03111
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	4.46
IP(EA), eV:	-8.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(iodomethyl)pyrazol-3-yl]-6-methyl-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N)C.Cl

DOS

IR

Vibrations