Geometry & MOs

Info

ID:	322006
PubChem CID:	126668103
Reduced:	OCl2N2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	494.173913
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	6.0
IP(EA), eV:	-9.31(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chlorophenyl)-2-[[(2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-methylamino]propanoate

Drug info:

PubChemData

Smile

C1[C@@H](NC(=O)C(N1)CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations