Geometry & MOs

Info

ID:

306541

PubChem CID:

125086447

Reduced:

ClSF3N3O4C38H39 (1)

Stoich.:

ABC3D3E4F38G39 (1)

Weight, g/mol:

675.233384

ΔHf, kcal/mol:

-260.72

Dipole, Da:

5.3

IP(EA), eV:

 -9.05(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(4-chlorophenyl)methyl-[2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)CN(C4=C(C=CC(=C4)C(F)(F)F)Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations