Geometry & MOs

Info

ID:	437530
PubChem CID:	135226517
Reduced:	NPO5H28C31 (1)
Stoich.:	ABC5D28E31 (1)
Weight, g/mol:	442.14463
ΔH_f, kcal/mol:	-178.22
Dipole, Da:	8.15
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations