Geometry & MOs

Info

ID:	391592
PubChem CID:	135006782
Reduced:	NCl3O4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	532.234015
ΔH_f, kcal/mol:	-185.69
Dipole, Da:	2.32
IP(EA), eV:	-11.07(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-di(propan-2-yl)phenyl] (2S)-2-[(4-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitrobutanoate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)OC(=N1)C(C)(C)C)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations