Geometry & MOs

Info

ID:	242029
PubChem CID:	96025148
Reduced:	SO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	221.123821
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	2.32
IP(EA), eV:	-8.84(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1CN2CCCC[C@H]2CNS(=O)(=O)C

DOS

IR

Vibrations