Geometry & MOs

Info

ID:	391445
PubChem CID:	135005147
Reduced:	NPBr3O3H19C25 (1)
Stoich.:	ABC3D3E19F25 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	0.34
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzoyloxy-2-ethenyl-2-methylpentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(NC2=CC=C(C=C2)Br)P(=O)(OC3=CC=C(C=C3)Br)OC4=CC=C(C=C4)Br

DOS

IR

Vibrations