Geometry & MOs

Info

ID:

445851

PubChem CID:

135269795

Reduced:

ClOSN6C23H25 (1)

Stoich.:

ABCD6E23F25 (1)

Weight, g/mol:

514.179853

ΔHf, kcal/mol:

65.73

Dipole, Da:

4.3

IP(EA), eV:

 -8.56(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[5-amino-6-[5-[4-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]sulfonylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C=C1)C2=CN=C(C(=N2)C(=N)OC(=N)C3=CC=C(C=C3)CNC)N)Cl

DOS

IR

Vibrations