Geometry & MOs

Info

ID:

306643

PubChem CID:

125093252

Reduced:

ClFSN3O4C37H39 (1)

Stoich.:

ABCD3E4F37G39 (1)

Weight, g/mol:

595.227156

ΔHf, kcal/mol:

-151.88

Dipole, Da:

7.87

IP(EA), eV:

 -9.3(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-4-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=C(C=C2)F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)C5=C(C=CC(=C5)Cl)C

DOS

IR

Vibrations