Geometry & MOs

Info

ID:

447771

PubChem CID:

135285529

Reduced:

OF3N6H33C35 (1)

Stoich.:

AB3C6D33E35 (1)

Weight, g/mol:

594.184938

ΔHf, kcal/mol:

-13.4

Dipole, Da:

3.08

IP(EA), eV:

 -8.31(-1.7)

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-dihydroindazol-5-yl]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC(=C6)CN7CCC(C7)(F)F)NN4)/C=C32)F

DOS

IR

Vibrations