Geometry & MOs

Info

ID:

436396

PubChem CID:

135199825

Reduced:

N5O8C26H41 (1)

Stoich.:

A5B8C26D41 (1)

Weight, g/mol:

628.358448

ΔHf, kcal/mol:

-392.63

Dipole, Da:

1.61

IP(EA), eV:

 -8.99(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-acetyl-3-methylidenepyrrolidine-2-carbonyl]amino]-N-[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]-5-oxo-N'-pentylhexanediamide

Drug info:

PubChemData

Smile

CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)[C@H](CCC(C(=O)N)OC(=O)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations