Geometry & MOs

Info

ID:	383777
PubChem CID:	134975700
Reduced:	PWO6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	539.011893
ΔH_f, kcal/mol:	-141.88
Dipole, Da:	7.17
IP(EA), eV:	-7.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-tert-butyl-3-phenylphosphirene-1-carbonitrile;carbon monoxide;tungsten

Drug info:

PubChemData

Smile

CC(=O)[P@@]1C(=C1C(C)(C)C)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations