Geometry & MOs

Info

ID:	416109
PubChem CID:	135089117
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	3.48
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CN=C(C=C2)N3C[C@H]([C@H](C3)O)CS(=O)(=O)N(C)C

DOS

IR

Vibrations