Geometry & MOs

Info

ID:

324874

PubChem CID:

126678523

Reduced:

F4O5N6C25H34 (1)

Stoich.:

A4B5C6D25E34 (1)

Weight, g/mol:

582.19654

ΔHf, kcal/mol:

-399.05

Dipole, Da:

5.83

IP(EA), eV:

 -9.41(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[(4-bromobenzoyl)amino]-4-methylpentanoyl]-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C2=CC(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations