Geometry & MOs

Info

ID:	230133
PubChem CID:	87570279
Reduced:	NSO6C29H33 (1)
Stoich.:	ABC6D29E33 (1)
Weight, g/mol:	491.187878
ΔH_f, kcal/mol:	-139.84
Dipole, Da:	1.77
IP(EA), eV:	-8.54(-0.77)
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]-N-methoxybenzamide

Drug info:

PubChemData

Smile

CCN(CC(COC1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)SC)/C(=O)OC)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations