Geometry & MOs

Info

ID:

307552

PubChem CID:

125307457

Reduced:

SO4N5C21H25 (1)

Stoich.:

AB4C5D21E25 (1)

Weight, g/mol:

443.162725

ΔHf, kcal/mol:

-45.62

Dipole, Da:

6.85

IP(EA), eV:

 -8.56(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6aR)-2-[2-(2-methoxyethylamino)-2-oxoethyl]-1,4,6,6a-tetrahydrothieno[3,4-c]pyrazol-3-yl]-2-[(2S)-2-methyl-2H-indol-3-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=C2C=CC=CC2=N1)C(=O)C(=O)NC3=C4CSC[C@H]4NN3CC(=O)NCCOC

DOS

IR

Vibrations