Geometry & MOs

Info

ID:	44654
PubChem CID:	10505145
Reduced:	ClN5O9C18H22 (1)
Stoich.:	AB5C9D18E22 (1)
Weight, g/mol:	487.93633
ΔH_f, kcal/mol:	-109.75
Dipole, Da:	9.85
IP(EA), eV:	-9.69(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2,5-dibromo-1,3,4-triphenyl-2,5-dihydro-1lambda5-phosphole 1-oxide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CO[N+]2=C(C3=C(N=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations