Geometry & MOs

Info

ID:

444203

PubChem CID:

135261696

Reduced:

OSN6H18C25 (1)

Stoich.:

ABC6D18E25 (1)

Weight, g/mol:

595.180187

ΔHf, kcal/mol:

166.68

Dipole, Da:

9.28

IP(EA), eV:

 -8.7(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=C(S6)C(=O)C)/NN3

DOS

IR

Vibrations