Geometry & MOs

Info

ID:	236913
PubChem CID:	92715881
Reduced:	O3N6C20H20 (1)
Stoich.:	A3B6C20D20 (1)
Weight, g/mol:	363.1293
ΔH_f, kcal/mol:	-12.81
Dipole, Da:	5.81
IP(EA), eV:	-9.4(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-phenyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=CC=C3)N4C=NN=C4

DOS

IR

Vibrations