Geometry & MOs

Info

ID:	345082
PubChem CID:	127268842
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-188.61
Dipole, Da:	4.11
IP(EA), eV:	-8.75(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)CC1CCCO1)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations