Geometry & MOs

Info

ID:	12292
PubChem CID:	134227
Reduced:	ClNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	279.048463
ΔH_f, kcal/mol:	-11.36
Dipole, Da:	6.19
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3Cl

DOS

IR

Vibrations