Geometry & MOs

Info

ID:	412204
PubChem CID:	135085079
Reduced:	NCl3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	423.077091
ΔH_f, kcal/mol:	-198.52
Dipole, Da:	4.0
IP(EA), eV:	-9.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-phenyl-2-[4-(trichloromethyl)heptan-4-yloxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C)(C(Cl)(Cl)Cl)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations