Geometry & MOs

Info

ID:

444115

PubChem CID:

135261346

Reduced:

FO2N7H26C29 (1)

Stoich.:

AB2C7D26E29 (1)

Weight, g/mol:

624.206736

ΔHf, kcal/mol:

85.98

Dipole, Da:

3.51

IP(EA), eV:

 -8.71(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)OC)/NN3

DOS

IR

Vibrations