Geometry & MOs

Info

ID:

448600

PubChem CID:

135292157

Reduced:

SO3N5C32H37 (1)

Stoich.:

AB3C5D32E37 (1)

Weight, g/mol:

443.232125

ΔHf, kcal/mol:

46.75

Dipole, Da:

8.38

IP(EA), eV:

 -8.99(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclopropyl-5-(2-ethenylpyridin-4-yl)-2-[3-methyl-4-[2-(oxetan-2-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=CCCN(C1=CC=CC(=C1)C2=C(N=C(C(=C2)C#N)N3CCN([C@@H](C3)C4CC4)C(=O)C5CC5)C6CC6)S(=O)(=O)C=C

DOS

IR

Vibrations