Geometry & MOs

Info

ID:	236998
PubChem CID:	92716688
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	395.041664
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	2.31
IP(EA), eV:	-8.28(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC[C@H]1CNC2=C(O1)C=C(C=C2)C

DOS

IR

Vibrations