Geometry & MOs

Info

ID:	312431
PubChem CID:	126604824
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	350.058127
ΔH_f, kcal/mol:	-14.52
Dipole, Da:	2.11
IP(EA), eV:	-8.05(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-aminosulfanyl-3-methyl-1-(2-methylpyridin-3-yl)oxy-5,6-dihydro-3H-isothiochromene-7-thiol

Drug info:

PubChemData

Smile

CC/C=C\NC(C)CC=C(C)C

DOS

IR

Vibrations