Geometry & MOs

Info

ID:	445486
PubChem CID:	135267370
Reduced:	IO2N6F7H30C35 (1)
Stoich.:	AB2C6D7E30F35 (1)
Weight, g/mol:	360.279332
ΔH_f, kcal/mol:	-246.16
Dipole, Da:	6.23
IP(EA), eV:	-9.27(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-hydroperoxy-8,12,16-trimethylheptadec-7-en-2-yl]oxyphosphane

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C2=C(C1(F)F)N(N=C2C(F)(F)F)CC(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)C4=NC(CC=C4C5=CN=C6C(=C5)C=CN6)C#CC(C)(C)O)I

DOS

IR

Vibrations