Geometry & MOs

Info

ID:	368139
PubChem CID:	127327676
Reduced:	SN4O4C13H24 (1)
Stoich.:	AB4C4D13E24 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-159.11
Dipole, Da:	6.53
IP(EA), eV:	-8.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(C1=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations