Geometry & MOs

Info

ID:	173298
PubChem CID:	75621175
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	357.096955
ΔH_f, kcal/mol:	-21.56
Dipole, Da:	8.1
IP(EA), eV:	-8.6(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-12-one

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1CC3=NC(=O)C4=CC(C(=CC4=N3)OC)OC)SC=C2

DOS

IR

Vibrations