Geometry & MOs

Info

ID:

175005

PubChem CID:

75843917

Reduced:

ClSN3O3C15H25 (1)

Stoich.:

ABC3D3E15F25 (1)

Weight, g/mol:

345.241627

ΔHf, kcal/mol:

-117.28

Dipole, Da:

4.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.133799

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-3-(4-phenylbutan-2-ylcarbamoylamino)propanamide

Drug info:

PubChemData

Smile

CC[NH+](CC)C(CNC(=O)CNS(=O)(=O)C)C1=CC=CC=C1Cl

DOS

IR

Vibrations