Geometry & MOs

Info

ID:	28338
PubChem CID:	827088
Reduced:	SN2O2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-8.89
Dipole, Da:	4.79
IP(EA), eV:	-8.69(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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

CC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations