Geometry & MOs

Info

ID:

45002

PubChem CID:

10507118

Reduced:

ClSSiN3O7C23H36 (1)

Stoich.:

ABCD3E7F23G36 (1)

Weight, g/mol:

560.03814

ΔHf, kcal/mol:

-318.32

Dipole, Da:

5.8

IP(EA), eV:

 -9.15(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[(2S)-6-bromo-12,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)ethanone

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H](N(C1=O)C(C(=O)OCC=C)Cl)CC(=O)C2=CN(C(=N2)S(=O)(=O)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations