Geometry & MOs

Info

ID:	368131
PubChem CID:	127327668
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-171.6
Dipole, Da:	6.35
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-3-yl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2CCN(CC2)S(=O)(=O)C3=CC4=C(CCNC4=O)C=C3

DOS

IR

Vibrations