Geometry & MOs

Info

ID:	384036
PubChem CID:	134976216
Reduced:	BrOPH26C27 (1)
Stoich.:	ABCD26E27 (1)
Weight, g/mol:	678.20187
ΔH_f, kcal/mol:	34.97
Dipole, Da:	4.76
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-dibenzoyloxy-4-[2-hydroxypropyl(triphenyl)-lambda5-phosphanyl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CP(CCOC2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations