Geometry & MOs

Info

ID:

313878

PubChem CID:

126618402

Reduced:

ClSF2N3O6C36H36 (1)

Stoich.:

ABC2D3E6F36G36 (1)

Weight, g/mol:

631.10779

ΔHf, kcal/mol:

-245.15

Dipole, Da:

11.25

IP(EA), eV:

 -8.35(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[5-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-acetylindazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)OCCS(=O)CC3(COC3)C)CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl)F

DOS

IR

Vibrations