Geometry & MOs

Info

ID:	440697
PubChem CID:	135231013
Reduced:	FON5C24H30 (1)
Stoich.:	ABC5D24E30 (1)
Weight, g/mol:	663.274975
ΔH_f, kcal/mol:	-16.49
Dipole, Da:	5.39
IP(EA), eV:	-8.68(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diacetylamino)-5-[1-[4-(3-methylpentan-3-yl)phenyl]-1-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)ethyl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C\C1=C(NC=C1F)N=C)/N2CC3(CCC(CC3)(C4=CC=CC=C4)N(C)C)NC2=O

DOS

IR

Vibrations