Geometry & MOs

Info

ID:

322708

PubChem CID:

126670862

Reduced:

ClFN2O2H20C21 (1)

Stoich.:

ABC2D2E20F21 (1)

Weight, g/mol:

711.157927

ΔHf, kcal/mol:

-86.5

Dipole, Da:

7.36

IP(EA), eV:

 -9.05(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(1R,3S)-3-[[3-(5-acetyl-2-chlorophenyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)Cl)C2=C(C(=CC=C2)NC(=O)[C@@H]3C[C@H]4CC[C@H]4N3)F

DOS

IR

Vibrations