Geometry & MOs

Info

ID:

443873

PubChem CID:

135260245

Reduced:

FON7H22C27 (1)

Stoich.:

ABC7D22E27 (1)

Weight, g/mol:

596.175436

ΔHf, kcal/mol:

126.73

Dipole, Da:

8.75

IP(EA), eV:

 -8.64(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)O

DOS

IR

Vibrations