Geometry & MOs

Info

ID:

324873

PubChem CID:

126678520

Reduced:

F4O5N6C25H34 (1)

Stoich.:

A4B5C6D25E34 (1)

Weight, g/mol:

574.252681

ΔHf, kcal/mol:

-403.46

Dipole, Da:

4.28

IP(EA), eV:

 -9.56(-0.9)

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-(trifluoromethoxy)benzoyl]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)NC(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations