Geometry & MOs

Info

ID:	368136
PubChem CID:	127327673
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-67.2
Dipole, Da:	5.32
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCNC4=O)C=C3

DOS

IR

Vibrations