Geometry & MOs

Info

ID:	44462
PubChem CID:	10503661
Reduced:	SiS2O4C21H40 (1)
Stoich.:	AB2C4D21E40 (1)
Weight, g/mol:	448.166604
ΔH_f, kcal/mol:	-283.89
Dipole, Da:	2.44
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-13-chloro-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-3-yl)ethanone

Drug info:

PubChemData

Smile

CCCC(CCCC1(SCCCS1)C(=O)CCC(=O)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations