Geometry & MOs

Info

ID:

448157

PubChem CID:

135288892

Reduced:

OSN6H28C31 (1)

Stoich.:

ABC6D28E31 (1)

Weight, g/mol:

631.180187

ΔHf, kcal/mol:

134.32

Dipole, Da:

11.49

IP(EA), eV:

 -8.34(-1.86)

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]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC=CS7

DOS

IR

Vibrations