Geometry & MOs

Info

ID:

322684

PubChem CID:

126670807

Reduced:

F3O3N8H27C28 (1)

Stoich.:

A3B3C8D27E28 (1)

Weight, g/mol:

568.175644

ΔHf, kcal/mol:

-125.33

Dipole, Da:

5.58

IP(EA), eV:

 -9.09(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[(1R)-1-[(1R)-2,2-dichlorocyclopropyl]ethyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](C[C@@]5(C4C5)C)C(=O)NC6=NN(C=C6)CC(F)(F)F

DOS

IR

Vibrations