Geometry & MOs

Info

ID:	368126
PubChem CID:	127327645
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	8.05
IP(EA), eV:	-9.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NS(=O)(=O)C3=CC4=C(CCNC4=O)C=C3

DOS

IR

Vibrations