Geometry & MOs

Info

ID:

445332

PubChem CID:

135266185

Reduced:

ClSO2N3H19C21 (2)

Stoich.:

ABC2D3E19F21 (2)

Weight, g/mol:

751.180223

ΔHf, kcal/mol:

50.72

Dipole, Da:

4.84

IP(EA), eV:

 -8.15(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[3-[3-(4-chlorophenyl)-1-methylpyrazol-4-yl]phenyl]piperazin-1-yl]phenyl]-3-nitro-4-(phenylsulfanylamino)benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C(=C(C(=C1Cl)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NSC6=CC(=C(C=C6)NCCSC7=CC=CC=C7)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations