Geometry & MOs

Info

ID:

448192

PubChem CID:

135289140

Reduced:

FON6H25C29 (1)

Stoich.:

ABC6D25E29 (1)

Weight, g/mol:

645.195837

ΔHf, kcal/mol:

108.8

Dipole, Da:

10.59

IP(EA), eV:

 -8.52(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations