Geometry & MOs

Info

ID:

324848

PubChem CID:

126678470

Reduced:

BrFSO5N6C23H34 (1)

Stoich.:

ABCD5E6F23G34 (1)

Weight, g/mol:

575.323146

ΔHf, kcal/mol:

-234.28

Dipole, Da:

5.68

IP(EA), eV:

 -9.17(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]-1-[(2S)-3-methyl-2-[(3-morpholin-4-ylbenzoyl)amino]butanoyl]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)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations