Geometry & MOs

Info

ID:

68088

PubChem CID:

46507737

Reduced:

SCl2N2O3H14C19 (1)

Stoich.:

AB2C2D3E14F19 (1)

Weight, g/mol:

576.267131

ΔHf, kcal/mol:

-51.31

Dipole, Da:

6.4

IP(EA), eV:

 -9.73(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(11-methyl-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2=CN=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations