Geometry & MOs

Info

ID:

445948

PubChem CID:

135269998

Reduced:

SO2N6C21H22 (1)

Stoich.:

AB2C6D21E22 (1)

Weight, g/mol:

475.236559

ΔHf, kcal/mol:

78.37

Dipole, Da:

11.61

IP(EA), eV:

 -7.99(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-[(Z)-2-amino-2-(methylideneamino)-1-[1-(4-propan-2-ylsulfonylphenyl)ethylideneamino]ethenyl]-3-methyl-2H-1,3,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CN1CC(=NC(=C1N)C2=NN=C(O2)C3=CC=CC=C3)C4=CC=CC=C4S(=O)CCN

DOS

IR

Vibrations