Geometry & MOs

Info

ID:	209905
PubChem CID:	80738893
Reduced:	NO2S2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	355.949927
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	5.47
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

C1CNC(=O)C2=C1C=CC(=C2)C(C3=CC4=C(S3)C=CS4)O

DOS

IR

Vibrations