Geometry & MOs

Info

ID:

448179

PubChem CID:

135289046

Reduced:

SF2N6H22C28 (1)

Stoich.:

AB2C6D22E28 (1)

Weight, g/mol:

597.195837

ΔHf, kcal/mol:

94.13

Dipole, Da:

7.05

IP(EA), eV:

 -8.39(-1.91)

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-dihydroindazol-5-yl]pyridin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CS7

DOS

IR

Vibrations