Geometry & MOs

Info

ID:

322627

PubChem CID:

126670690

Reduced:

SO3N7C33H41 (1)

Stoich.:

AB3C7D33E41 (1)

Weight, g/mol:

477.212452

ΔHf, kcal/mol:

24.83

Dipole, Da:

7.01

IP(EA), eV:

 -8.53(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S)-2-[[(1R,2R)-2-hydroxycyclopentyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=NC(C)(C#CC#CC2=CN=C(N2)[C@@H]3CCCN3)C(=C)SC4=CC=CC=C4)N)NC(=O)OC

DOS

IR

Vibrations