Geometry & MOs

Info

ID:	412205
PubChem CID:	135085080
Reduced:	NCl3O4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	495.134606
ΔH_f, kcal/mol:	-205.63
Dipole, Da:	3.22
IP(EA), eV:	-9.77(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations