Geometry & MOs

Info

ID:	56390
PubChem CID:	17425299
Reduced:	SN2F3O5C20H21 (1)
Stoich.:	AB2C3D5E20F21 (1)
Weight, g/mol:	391.146681
ΔH_f, kcal/mol:	-299.68
Dipole, Da:	2.64
IP(EA), eV:	-8.61(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations