Geometry & MOs

Info

ID:	314725
PubChem CID:	126622870
Reduced:	BrOF2N3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	592.404533
ΔH_f, kcal/mol:	-109.88
Dipole, Da:	5.6
IP(EA), eV:	-9.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,4-bis(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenyl]-trihydroxy-[4-(2-methylbutan-2-yl)phenyl]-lambda5-phosphane

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=CC(=NC=C2Br)F)F

DOS

IR

Vibrations