Geometry & MOs

Info

ID:	33515
PubChem CID:	7886798
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	390.026348
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	3.65
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4CCCCCC4

DOS

IR

Vibrations