Geometry & MOs

Info

ID:	178414
PubChem CID:	76324937
Reduced:	OF2S2N5C24H27 (1)
Stoich.:	AB2C2D5E24F27 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	3.01
IP(EA), eV:	-8.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2,6-dimethylphenoxy)-6-oxo-1H-pyridin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)SCC(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O)C

DOS

IR

Vibrations