Geometry & MOs

Info

ID:

324882

PubChem CID:

126678539

Reduced:

BrF2O4N6C24H33 (1)

Stoich.:

AB2C4D6E24F33 (1)

Weight, g/mol:

534.296597

ΔHf, kcal/mol:

-220.14

Dipole, Da:

6.53

IP(EA), eV:

 -9.41(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate

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=C(C=C(C=C2)Br)F

DOS

IR

Vibrations