Geometry & MOs

Info

ID:

324832

PubChem CID:

126678432

Reduced:

BrFO4N6C25H34 (1)

Stoich.:

ABC4D6E25F34 (1)

Weight, g/mol:

546.332982

ΔHf, kcal/mol:

-198.29

Dipole, Da:

3.37

IP(EA), eV:

 -9.52(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations