Geometry & MOs

Info

ID:	143117
PubChem CID:	53149365
Reduced:	SO2F3N3C21H24 (1)
Stoich.:	AB2C3D3E21F24 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	-213.57
Dipole, Da:	4.4
IP(EA), eV:	-9.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-6-pyridin-3-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1=CSC(=N1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations