Geometry & MOs

Info

ID:	209664
PubChem CID:	80700597
Reduced:	NOBr2H11C15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	32.95
Dipole, Da:	3.53
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfonylpropyl 3-(3-aminophenyl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CO2)CNC3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations