Geometry & MOs

Info

ID:	47016
PubChem CID:	10528984
Reduced:	NSO6C26H33 (1)
Stoich.:	ABC6D26E33 (1)
Weight, g/mol:	487.18173
ΔH_f, kcal/mol:	-205.83
Dipole, Da:	5.36
IP(EA), eV:	-8.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-hydroxy-2-(4-hydroxy-2-methylphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CCOC(CN([C@H]1CCCC=C1C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)C)OCC

DOS

IR

Vibrations