Geometry & MOs

Info

ID:

314667

PubChem CID:

126622614

Reduced:

ClF2N3O4H24C27 (1)

Stoich.:

AB2C3D4E24F27 (1)

Weight, g/mol:

609.0693

ΔHf, kcal/mol:

-209.26

Dipole, Da:

2.92

IP(EA), eV:

 -9.12(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-6-(1,1-dihydroxythietan-3-yl)oxyindazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC3=CC=CC(=C3F)C4=CC=CC=C4Cl)F

DOS

IR

Vibrations