Geometry & MOs

Info

ID:	381893
PubChem CID:	134972755
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-221.31
Dipole, Da:	4.85
IP(EA), eV:	-9.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(1R)-2-oxocyclohexyl]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

COC(=O)[C@H]([C@H]1CCCCC1=O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations