Geometry & MOs

Info

ID:	17371
PubChem CID:	494516
Reduced:	NSO9C23H25 (1)
Stoich.:	ABC9D23E25 (1)
Weight, g/mol:	491.125003
ΔH_f, kcal/mol:	-293.57
Dipole, Da:	4.31
IP(EA), eV:	-8.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NS(=O)(=O)C

DOS

IR

Vibrations