Geometry & MOs

Info

ID:

324871

PubChem CID:

126678514

Reduced:

FO4N7C27H36 (1)

Stoich.:

AB4C7D27E36 (1)

Weight, g/mol:

541.281281

ΔHf, kcal/mol:

-169.73

Dipole, Da:

5.9

IP(EA), eV:

 -9.41(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]quinoline-4-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=CC3=C(C=C2)C=CN=C3

DOS

IR

Vibrations