Geometry & MOs

Info

ID:

134749

PubChem CID:

51751113

Reduced:

ClN3O4C26H34 (1)

Stoich.:

AB3C4D26E34 (1)

Weight, g/mol:

494.187543

ΔHf, kcal/mol:

-166.4

Dipole, Da:

4.82

IP(EA), eV:

 -9.6(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-(furan-2-ylmethyl)-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)Cl)N(CC2=CC=CO2)C(=O)[C@@H]3CCC(=O)N3

DOS

IR

Vibrations