Geometry & MOs

Info

ID:	341192
PubChem CID:	127263627
Reduced:	ClNO3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-161.41
Dipole, Da:	5.46
IP(EA), eV:	-9.33(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-propan-2-yloxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)[C@@](C)(C(=O)OC)N.Cl

DOS

IR

Vibrations