Geometry & MOs

Info

ID:

445358

PubChem CID:

135266454

Reduced:

ClS2F3O3N6C42H42 (1)

Stoich.:

AB2C3D3E6F42G42 (1)

Weight, g/mol:

500.197904

ΔHf, kcal/mol:

-109.67

Dipole, Da:

8.81

IP(EA), eV:

 -8.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-(4-aminophenyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C)C2=CC=C(C=C2)Cl)C3=CCCC(=C3)N4CCN(CC4)C5=CC=C(C=C5)NNC6=CC(=C(C=C6)NSC7=CCCC=C7)S(=O)(=O)C(F)(F)F)C=O

DOS

IR

Vibrations