Geometry & MOs

Info

ID:	49186
PubChem CID:	11528829
Reduced:	CoSN2O3C5H12 (1)
Stoich.:	ABC2D3E5F12 (1)
Weight, g/mol:	239.074642
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	26.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.840790
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CSCCC(C(=O)NO)[NH-].[OH-].[Co+2]

DOS

IR

Vibrations