Geometry & MOs

Info

ID:

392458

PubChem CID:

135016675

Reduced:

SO7C20H20 (1)

Stoich.:

AB7C20D20 (1)

Weight, g/mol:

660.280398

ΔHf, kcal/mol:

-228.08

Dipole, Da:

3.19

IP(EA), eV:

 -9.78(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-N-[(1R)-2-[[(1R,2R)-2-[[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]amino]cyclohexyl]amino]-1-phenylethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1(CC=C2CC(=O)C=C2C(C1)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations