Geometry & MOs

Info

ID:	148961
PubChem CID:	53788631
Reduced:	OSCl3N3H14C19 (1)
Stoich.:	ABC3D3E14F19 (1)
Weight, g/mol:	524.172892
ΔH_f, kcal/mol:	55.36
Dipole, Da:	4.15
IP(EA), eV:	-8.97(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,2-bis(diethoxyphosphoryl)-2-phenylethyl]-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C(Cl)(Cl)Cl)OC(=S)N(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations