Geometry & MOs

Info

ID:	384481
PubChem CID:	134977059
Reduced:	BrNPO3H27C29 (1)
Stoich.:	ABCD3E27F29 (1)
Weight, g/mol:	532.1392
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	8.32
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iodo-(3-methoxyoctyl)-triphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

COC(=O)[C@@H](CP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)Br)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations