Geometry & MOs

Info

ID:

306547

PubChem CID:

125086593

Reduced:

ClSN3O4C31H36 (1)

Stoich.:

ABC3D4E31F36 (1)

Weight, g/mol:

661.214398

ΔHf, kcal/mol:

-138.94

Dipole, Da:

4.84

IP(EA), eV:

 -8.88(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-(2-ethoxy-N-methylsulfonylanilino)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](C)C(=O)NC3CCCC3)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations