Geometry & MOs

Info

ID:	89852
PubChem CID:	49965039
Reduced:	SO2N3F4H13C20 (1)
Stoich.:	AB2C3D4E13F20 (1)
Weight, g/mol:	269.062283
ΔH_f, kcal/mol:	-211.28
Dipole, Da:	2.58
IP(EA), eV:	-9.16(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxopropylsulfanyl)-6-pyridin-4-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@@H]2C(=O)NC3=C(C(=O)N2C1)SC4=C3C(=CC(=N4)C5=CC=C(C=C5)F)C(F)(F)F

DOS

IR

Vibrations