Geometry & MOs

Info

ID:

184477

PubChem CID:

77166248

Reduced:

FO4N5C32H34 (1)

Stoich.:

AB4C5D32E34 (1)

Weight, g/mol:

462.248474

ΔHf, kcal/mol:

-98.03

Dipole, Da:

4.56

IP(EA), eV:

 -9.56(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclopropyl-N-(3,3-dimethyl-4-methylsulfanylbutan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N(C2=NC=NN12)C3CCC(CC3)OC4COCC4O)CC5=C(C=C(C=C5)C6=CC=CC=C6C#N)F

DOS

IR

Vibrations