Geometry & MOs

Info

ID:

414789

PubChem CID:

135087752

Reduced:

N6O7C33H46 (1)

Stoich.:

A6B7C33D46 (1)

Weight, g/mol:

354.172562

ΔHf, kcal/mol:

-276.57

Dipole, Da:

4.2

IP(EA), eV:

 -8.93(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-cyclohexyl-N'-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanediamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC(=NC=C3)OC)C(C)C

DOS

IR

Vibrations