Geometry & MOs

Info

ID:	162389
PubChem CID:	57394527
Reduced:	ClON4C7H9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	682.218524
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	6.99
IP(EA), eV:	-10.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-2-methylpyridin-3-yl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)N=C(N)N.Cl

DOS

IR

Vibrations