Geometry & MOs

Info

ID:

185073

PubChem CID:

77251286

Reduced:

ClSF3N3O5C27H33 (1)

Stoich.:

ABC3D3E5F27G33 (1)

Weight, g/mol:

897.365046

ΔHf, kcal/mol:

-349.59

Dipole, Da:

8.39

IP(EA), eV:

 -9.37(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(2-pyrazolidin-3-ylphenoxy)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N(C(CN2CCCC2C(=O)O)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F.Cl

DOS

IR

Vibrations