Geometry & MOs

Info

ID:	181865
PubChem CID:	76806138
Reduced:	SN2O9C26H30 (1)
Stoich.:	AB2C9D26E30 (1)
Weight, g/mol:	316.201159
ΔH_f, kcal/mol:	-284.16
Dipole, Da:	10.71
IP(EA), eV:	-8.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-butyl-5-pentyl-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2(6),8,12-tetraen-4-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2S(=O)(=O)N6CCCC6)OCO5)OC

DOS

IR

Vibrations