Geometry & MOs

Info

ID:

306549

PubChem CID:

125086602

Reduced:

FSN3O5C37H40 (1)

Stoich.:

ABC3D5E37F40 (1)

Weight, g/mol:

585.186434

ΔHf, kcal/mol:

-178.11

Dipole, Da:

8.06

IP(EA), eV:

 -9.06(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)CN(C4=CC=C(C=C4)F)S(=O)(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations