Geometry & MOs

Info

ID:

125466

PubChem CID:

50925385

Reduced:

N3O4C23H25 (1)

Stoich.:

A3B4C23D25 (1)

Weight, g/mol:

466.17871

ΔHf, kcal/mol:

-35.24

Dipole, Da:

7.79

IP(EA), eV:

 -9.08(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-4-methyl-1-oxopentan-2-yl]-N-methyl-4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C(=O)C1=C(N(C2=CC=CC=C21)[11CH3])C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations