Geometry & MOs

Info

ID:

324890

PubChem CID:

126678550

Reduced:

FO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

582.19654

ΔHf, kcal/mol:

-207.33

Dipole, Da:

5.04

IP(EA), eV:

 -9.07(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[(4-bromo-2-methylbenzoyl)amino]-3-methylbutanoyl]-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF

DOS

IR

Vibrations