Geometry & MOs

Info

ID:	366744
PubChem CID:	127320273
Reduced:	SO2N5C11H19 (1)
Stoich.:	AB2C5D11E19 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	5.55
IP(EA), eV:	-9.83(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations