Geometry & MOs

Info

ID:	437528
PubChem CID:	135226515
Reduced:	NPO6H32C35 (1)
Stoich.:	ABC6D32E35 (1)
Weight, g/mol:	441.149381
ΔH_f, kcal/mol:	-197.64
Dipole, Da:	3.32
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-aminophenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]-2-methylphenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C2=CC(=C(C=C2)N(C(=O)C)C(=O)C)OC(=O)C(=C)C)P3(=O)C4=CC=CC=C4C5=CC=CC=C5O3

DOS

IR

Vibrations