Geometry & MOs

Info

ID:	10833
PubChem CID:	108389
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	1.75
IP(EA), eV:	-8.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-2-(1-methylpiperidin-4-yl)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,8,10,12-hexaen-2-ol

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2(C3=C(C(=CC4=CC=CC=C42)OC)SC=C3)O

DOS

IR

Vibrations