Geometry & MOs

Info

ID:

324833

PubChem CID:

126678434

Reduced:

FO4N6C28H43 (1)

Stoich.:

AB4C6D28E43 (1)

Weight, g/mol:

596.17581

ΔHf, kcal/mol:

-229.61

Dipole, Da:

3.99

IP(EA), eV:

 -9.35(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[4-[(4-bromobenzoyl)amino]oxane-4-carbonyl]-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=C(C=C2)C(C)(C)C

DOS

IR

Vibrations