Geometry & MOs

Info

ID:	412203
PubChem CID:	135085078
Reduced:	NCl3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	395.045791
ΔH_f, kcal/mol:	-185.84
Dipole, Da:	2.69
IP(EA), eV:	-10.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-phenyl-2-[(1,1,1-trichloro-2-methylpentan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations