Geometry & MOs

Info

ID:	279011
PubChem CID:	103840463
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	361.0325
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	9.23
IP(EA), eV:	-9.6(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-bromo-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NCCCCCCO)[N+](=O)[O-]

DOS

IR

Vibrations