Geometry & MOs

Info

ID:

324860

PubChem CID:

126678494

Reduced:

FO5N6C28H41 (1)

Stoich.:

AB5C6D28E41 (1)

Weight, g/mol:

1107.510192

ΔHf, kcal/mol:

-252.79

Dipole, Da:

4.58

IP(EA), eV:

 -9.52(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(1R)-2-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]-4-[4-[(1S)-2-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-(phenylmethoxycarbonylamino)ethyl]phenyl]pyrrolidin-1-yl]-2-oxo-1-pyridin-3-ylethyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations