Geometry & MOs

Info

ID:	391522
PubChem CID:	135006189
Reduced:	SiO2C20H34 (1)
Stoich.:	AB2C20D34 (1)
Weight, g/mol:	378.084338
ΔH_f, kcal/mol:	-150.14
Dipole, Da:	2.68
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(diphenylphosphorylmethyl)-2,3-dihydrothiochromen-4-one

Drug info:

PubChemData

Smile

CCCCCC[C@@H](C(=O)C1=CC=CC=C1)O[Si](CC)(CC)CC

DOS

IR

Vibrations