Geometry & MOs

Info

ID:	437529
PubChem CID:	135226516
Reduced:	NPO3H24C27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	525.17051
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	4.56
IP(EA), eV:	-8.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-[2-hydroxy-4-[1-(4-methylphenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations