Geometry & MOs

Info

ID:

17502

PubChem CID:

501902

Reduced:

N5O6C32H39 (1)

Stoich.:

A5B6C32D39 (1)

Weight, g/mol:

589.290034

ΔHf, kcal/mol:

-205.25

Dipole, Da:

5.37

IP(EA), eV:

 -9.18(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-6-amino-1-(1,3-oxazol-4-yl)-6-oxohex-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C=CC2=COC=N2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations