Geometry & MOs

Info

ID:

436395

PubChem CID:

135199824

Reduced:

PO5N7C43H46 (1)

Stoich.:

AB5C7D43E46 (1)

Weight, g/mol:

551.295513

ΔHf, kcal/mol:

-107.22

Dipole, Da:

6.5

IP(EA), eV:

 -8.72(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5S)-1-amino-6-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,6-dioxohexan-2-yl] acetate

Drug info:

PubChemData

Smile

CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)[C@H](CCC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N)NC(=O)C5=CN=CN5C

DOS

IR

Vibrations