Geometry & MOs

Info

ID:	368124
PubChem CID:	127327643
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	6.61
IP(EA), eV:	-8.6(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NS(=O)(=O)C2=CC3=C(CCNC3=O)C=C2

DOS

IR

Vibrations