Geometry & MOs

Info

ID:

379677

PubChem CID:

134455935

Reduced:

SF2N5O5C27H31 (1)

Stoich.:

AB2C5D5E27F31 (1)

Weight, g/mol:

591.262774

ΔHf, kcal/mol:

-234.74

Dipole, Da:

6.39

IP(EA), eV:

 -8.46(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3CCCCO3)N=C(C=C2NC4=C(C=C(C=C4)[C@H]5CCCO5)S(=O)(=O)C)NC(=O)C6CC6(F)F

DOS

IR

Vibrations