Geometry & MOs

Info

ID:

306613

PubChem CID:

125092527

Reduced:

SN3O5C38H43 (1)

Stoich.:

AB3C5D38E43 (1)

Weight, g/mol:

521.211506

ΔHf, kcal/mol:

-139.85

Dipole, Da:

7.37

IP(EA), eV:

 -8.71(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations