Geometry & MOs

Info

ID:

445925

PubChem CID:

135269946

Reduced:

O3N4C20H24 (1)

Stoich.:

A3B4C20D24 (1)

Weight, g/mol:

459.212653

ΔHf, kcal/mol:

-35.08

Dipole, Da:

2.46

IP(EA), eV:

 -9.4(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-1-N',2-N,2-N-trimethyl-2-[5-(3-methylthiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1-N'-[2-(4-propan-2-ylsulfanylphenyl)ethyl]ethene-1,1,2-triamine

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C2=CC=NC=C2)C)CC3=CC=C(C=C3)C(=O)NO

DOS

IR

Vibrations