Geometry & MOs

Info

ID:	334209
PubChem CID:	127252761
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-85.19
Dipole, Da:	2.64
IP(EA), eV:	-8.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-hydroxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations