Geometry & MOs

Info

ID:	230759
PubChem CID:	87571942
Reduced:	OC9H16 (2)
Stoich.:	AB9C16 (2)
Weight, g/mol:	453.127776
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	1.83
IP(EA), eV:	-9.43(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-chloropyridin-4-yl)pyridin-4-yl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one

Drug info:

PubChemData

Smile

C[C@H]\1CCCCCCCCCCCC/C(=C1)/OC(=O)C

DOS

IR

Vibrations