Geometry & MOs

Info

ID:

376924

PubChem CID:

134222957

Reduced:

SN4H34C47 (1)

Stoich.:

AB4C34D47 (1)

Weight, g/mol:

517.198614

ΔHf, kcal/mol:

339.85

Dipole, Da:

13.18

IP(EA), eV:

 -7.6(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[[(3-cyano-4-methyl-1H-pyrrol-2-yl)amino]-hydroxymethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=CC=C4)C5=CCC#CC(=C5)C6=CC(=C7N=C(NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C=CC6=S

DOS

IR

Vibrations