Geometry & MOs

Info

ID:

17501

PubChem CID:

501901

Reduced:

N5O5C34H41 (1)

Stoich.:

A5B5C34D41 (1)

Weight, g/mol:

599.310769

ΔHf, kcal/mol:

-162.46

Dipole, Da:

4.45

IP(EA), eV:

 -9.61(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-6-amino-6-oxo-1-pyridin-2-ylhex-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=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations