Geometry & MOs

Info

ID:	208954
PubChem CID:	80607828
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	-36.41
Dipole, Da:	1.84
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CCCN1C=CC(=O)N(C1=O)CC2=NN=C(S2)NCC

DOS

IR

Vibrations