Geometry & MOs

Info

ID:

318980

PubChem CID:

126654041

Reduced:

ClF3O3N6H34C38 (1)

Stoich.:

AB3C3D6E34F38 (1)

Weight, g/mol:

602.244167

ΔHf, kcal/mol:

-137.04

Dipole, Da:

11.48

IP(EA), eV:

 -8.08(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4S)-2-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-(2-pyridin-2-yl-1,3-dihydroisoindol-4-yl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)CC(=O)C5C[C@@H](C[C@H]5C(=O)NC6=CC=CC(=C6F)C7=CC=CC=C7Cl)F

DOS

IR

Vibrations