Geometry & MOs

Info

ID:	364184
PubChem CID:	127314482
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-98.98
Dipole, Da:	4.36
IP(EA), eV:	-8.47(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

CNC(=O)CN1CCN(CC1)C(=O)C2CCSCC2

DOS

IR

Vibrations