Geometry & MOs

Info

ID:	334452
PubChem CID:	127253004
Reduced:	NO5H19C24 (1)
Stoich.:	AB5C19D24 (1)
Weight, g/mol:	505.151886
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	2.89
IP(EA), eV:	-8.42(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CC=CO5)OC

DOS

IR

Vibrations