Geometry & MOs

Info

ID:

324834

PubChem CID:

126678438

Reduced:

BrFO5N6C25H34 (1)

Stoich.:

ABC5D6E25F34 (1)

Weight, g/mol:

539.242309

ΔHf, kcal/mol:

-226.99

Dipole, Da:

5.54

IP(EA), eV:

 -9.25(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[(4-chlorophenyl)carbamoylamino]-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)C2(CCOCC2)NC(=O)C3=CC=C(C=C3)Br)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF

DOS

IR

Vibrations