Geometry & MOs

Info

ID:	368123
PubChem CID:	127327642
Reduced:	S2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-63.26
Dipole, Da:	8.45
IP(EA), eV:	-8.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNC(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CS4

DOS

IR

Vibrations