Geometry & MOs

Info

ID:	240712
PubChem CID:	93617168
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	4.09
IP(EA), eV:	-8.71(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](CNS(=O)(=O)C1=CN(N=C1)C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations