Geometry & MOs

Info

ID:

306546

PubChem CID:

125086592

Reduced:

SF2N3O4C36H37 (1)

Stoich.:

AB2C3D4E36F37 (1)

Weight, g/mol:

581.211506

ΔHf, kcal/mol:

-184.4

Dipole, Da:

5.53

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations