Geometry & MOs

Info

ID:	52127
PubChem CID:	12014915
Reduced:	ClPN2S2C7H14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	306.117352
ΔH_f, kcal/mol:	-55.59
Dipole, Da:	6.32
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclohexen-1-yl)ethynyl-phenylphosphoryl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)NC1=NP(=S)(CS1)CCl

DOS

IR

Vibrations