Geometry & MOs

Info

ID:	49323
PubChem CID:	11532836
Reduced:	ClSN4O5C20H23 (1)
Stoich.:	ABC4D5E20F23 (1)
Weight, g/mol:	467.136923
ΔH_f, kcal/mol:	-160.81
Dipole, Da:	6.16
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=CC=C3C)Cl

DOS

IR

Vibrations