Geometry & MOs

Info

ID:

425496

PubChem CID:

135126549

Reduced:

SO2F4N4H20C28 (1)

Stoich.:

AB2C4D4E20F28 (1)

Weight, g/mol:

473.223411

ΔHf, kcal/mol:

-126.85

Dipole, Da:

6.17

IP(EA), eV:

 -9.01(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-(carbamoylamino)pentanoic acid;2-[3,3-diaminopropanoyl-(2,5-dioxopyrrol-1-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](OC[C@@]2(N=C(S1)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)/C=C(/C5=NC=C(C=C5)C#N)\F)F)C(F)F

DOS

IR

Vibrations