Geometry & MOs

Info

ID:	349754
PubChem CID:	127275916
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	7.55
IP(EA), eV:	-9.25(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations