Geometry & MOs

Info

ID:	381892
PubChem CID:	134972754
Reduced:	ClN2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-176.21
Dipole, Da:	3.58
IP(EA), eV:	-9.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C(NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)Cl

DOS

IR

Vibrations