Geometry & MOs

Info

ID:	172340
PubChem CID:	75497192
Reduced:	S2O3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	282.097998
ΔH_f, kcal/mol:	-60.92
Dipole, Da:	8.66
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethoxy)-4-fluoro-N-(pyridin-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2CCCN3C2=NC(=N3)COC)C

DOS

IR

Vibrations