Geometry & MOs

Info

ID:

313882

PubChem CID:

126618595

Reduced:

ClSF2N4O5H23C28 (1)

Stoich.:

ABC2D4E5F23G28 (1)

Weight, g/mol:

497.151075

ΔHf, kcal/mol:

-193.74

Dipole, Da:

6.47

IP(EA), eV:

 -9.04(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[3-[[(2S,4R)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1SC(=C2)C(=O)OC)CC(=O)N3C[C@@H](C[C@H]3C(=O)NC4=CC=CC(=C4F)C5=CC=CC=C5Cl)F

DOS

IR

Vibrations