Geometry & MOs

Info

ID:	130948
PubChem CID:	51133934
Reduced:	N2O2S2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	341.099811
ΔH_f, kcal/mol:	0.8
Dipole, Da:	3.56
IP(EA), eV:	-9.08(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CC=C2)OCC(=O)NCC3=CC=CS3

DOS

IR

Vibrations