Geometry & MOs

Info

ID:	271741
PubChem CID:	103690313
Reduced:	FNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	373.05249
ΔH_f, kcal/mol:	-94.21
Dipole, Da:	5.48
IP(EA), eV:	-9.44(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C2=C(C(=CC=C2)F)N)C(=O)O

DOS

IR

Vibrations