Geometry & MOs

Info

ID:

445885

PubChem CID:

135269871

Reduced:

FO2N3C21H26 (1)

Stoich.:

AB2C3D21E26 (1)

Weight, g/mol:

525.299828

ΔHf, kcal/mol:

-54.96

Dipole, Da:

4.92

IP(EA), eV:

 -8.82(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-amino-1-methyl-5-(3-methyl-5-phenyl-2H-1,3,4-oxadiazol-2-yl)-2H-pyrazin-3-yl]-6-N-[2-(dimethylamino)ethyl]-5-N,1-dimethyl-5-N-methylsulfanyl-2H-pyridine-5,6-diamine

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=CC=C2F)C)CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations