Geometry & MOs

Info

ID:

306534

PubChem CID:

125085911

Reduced:

SCl2N3O7C39H43 (1)

Stoich.:

AB2C3D7E39F43 (1)

Weight, g/mol:

611.246535

ΔHf, kcal/mol:

-212.52

Dipole, Da:

4.82

IP(EA), eV:

 -8.88(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclopentyl-2-[[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N(CC(=O)N(CC2=CC=CC=C2Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations