Geometry & MOs

Info

ID:	161599
PubChem CID:	57392108
Reduced:	SO3N4C26H34 (1)
Stoich.:	AB3C4D26E34 (1)
Weight, g/mol:	411.095417
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	5.38
IP(EA), eV:	-8.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-8-(7-methoxy-1,3-benzodioxol-5-yl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one

Drug info:

PubChemData

Smile

CCN(CCCCN1CCN(CC1)C2=CC=CC=C2OC)S(=O)(=O)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations