Geometry & MOs

Info

ID:	44712
PubChem CID:	10505505
Reduced:	SSiO5C26H46 (1)
Stoich.:	ABC5D26E46 (1)
Weight, g/mol:	498.184084
ΔH_f, kcal/mol:	-303.97
Dipole, Da:	6.24
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-yl]-9H-xanthene-9-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CC(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)C1=CC=CC=C1)COC2CCCCO2

DOS

IR

Vibrations