Geometry & MOs

Info

ID:

444116

PubChem CID:

135261349

Reduced:

FSO3N8H29C32 (1)

Stoich.:

ABC3D8E29F32 (1)

Weight, g/mol:

536.20845

ΔHf, kcal/mol:

23.21

Dipole, Da:

5.02

IP(EA), eV:

 -8.52(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)C7CCCC7)/C=C32)F)N

DOS

IR

Vibrations