Geometry & MOs

Info

ID:	339976
PubChem CID:	127261985
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-141.22
Dipole, Da:	4.71
IP(EA), eV:	-9.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-ethylamino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations