Geometry & MOs

Info

ID:	437527
PubChem CID:	135226514
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	593.196725
ΔH_f, kcal/mol:	12.53
Dipole, Da:	10.05
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diacetylamino)-5-[1-(4-methylphenyl)-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C=C(C2=NC=CN21)C#N

DOS

IR

Vibrations