Geometry & MOs

Info

ID:	85469
PubChem CID:	49875505
Reduced:	NOSH2C3 (2)
Stoich.:	ABCD2E3 (2)
Weight, g/mol:	283.077933
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	4.56
IP(EA), eV:	-9.37(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC2=C1SN=N2)C(=O)O

DOS

IR

Vibrations