Geometry & MOs

Info

ID:

226136

PubChem CID:

87325881

Reduced:

S2N3O3H13C15 (1)

Stoich.:

A2B3C3D13E15 (1)

Weight, g/mol:

915.292476

ΔHf, kcal/mol:

-48.22

Dipole, Da:

1.86

IP(EA), eV:

 -8.45(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[di(propan-2-yl)amino]-4-oxo-1-phenylsulfanylbutan-2-yl]amino]-3-methylsulfonylphenyl]sulfonylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=S)N)C(=S)N)OC(=O)C2=C(C=CC(=C2)N)O

DOS

IR

Vibrations