Geometry & MOs

Info

ID:	33360
PubChem CID:	7886081
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-29.73
Dipole, Da:	2.64
IP(EA), eV:	-8.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1,3-benzodioxol-5-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C5=C(S4)CCC5

DOS

IR

Vibrations