Geometry & MOs

Info

ID:

125412

PubChem CID:

50923267

Reduced:

SO3N6C25H34 (1)

Stoich.:

AB3C6D25E34 (1)

Weight, g/mol:

471.213121

ΔHf, kcal/mol:

-79.2

Dipole, Da:

4.11

IP(EA), eV:

 -8.41(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[6-amino-5-[6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-benzimidazol-2-yl]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC(C)NC1=C2C(=CC(=N1)C3=CC(=C(C=C3)N(C)C4CCN(CC4)C)S(=O)(=O)C)N=CN(C2=O)C

DOS

IR

Vibrations