Geometry & MOs

Info

ID:

134554

PubChem CID:

51714168

Reduced:

ClSO3N4H21C22 (1)

Stoich.:

ABC3D4E21F22 (1)

Weight, g/mol:

456.102289

ΔHf, kcal/mol:

-68.89

Dipole, Da:

4.54

IP(EA), eV:

 -9.14(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C3=C(S2)CCCCC3)C#N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations