Geometry & MOs

Info

ID:	226027
PubChem CID:	87246638
Reduced:	ClN4O4C29H37 (1)
Stoich.:	AB4C4D29E37 (1)
Weight, g/mol:	500.203404
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	3.08
IP(EA), eV:	-9.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1-diphenylphosphoryl-2,2-dimethylpentyl)-phenylphosphoryl]benzene

Drug info:

PubChemData

Smile

CCCC1C(N(C(=N1)C2=C(C=C(C=C2)OC)OC(C)C)C(=O)N3CCN(CC3)CC=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations