Geometry & MOs

Info

ID:	231637
PubChem CID:	87574349
Reduced:	OSN7C25H27 (1)
Stoich.:	ABC7D25E27 (1)
Weight, g/mol:	550.167413
ΔH_f, kcal/mol:	108.47
Dipole, Da:	2.37
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2,5-dimethoxyphenyl)-phenylphosphoryl]ethyl-phenylphosphoryl]-1,4-dimethoxybenzene

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5S4)C6CCN6CC=O

DOS

IR

Vibrations