Geometry & MOs

Info

ID:	89832
PubChem CID:	49964904
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	382.069989
ΔH_f, kcal/mol:	20.46
Dipole, Da:	3.76
IP(EA), eV:	-8.37(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanyl-N-(2,4-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCCC1=C2C(=NN1)OC(=C(C23CCN(CC3)C(C)C)C#N)N

DOS

IR

Vibrations