Geometry & MOs

Info

ID:	230538
PubChem CID:	87571288
Reduced:	ClN4O6C14H19 (1)
Stoich.:	AB4C6D14E19 (1)
Weight, g/mol:	446.166414
ΔH_f, kcal/mol:	-188.73
Dipole, Da:	5.63
IP(EA), eV:	-9.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=CC(=NN=C2OCCO)Cl.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations