Geometry & MOs

Info

ID:

15632

PubChem CID:

446361

Reduced:

N7O7C29H43 (1)

Stoich.:

A7B7C29D43 (1)

Weight, g/mol:

601.322397

ΔHf, kcal/mol:

-304.26

Dipole, Da:

6.01

IP(EA), eV:

 -9.27(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[2-[(2S)-2-[(2S)-2-formylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-1-[(2S)-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)NCC(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C=O

DOS

IR

Vibrations