Geometry & MOs

Info

ID:	143164
PubChem CID:	53156056
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	433.149384
ΔH_f, kcal/mol:	2.81
Dipole, Da:	4.98
IP(EA), eV:	-9.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CC2=CC=CS2)C(=O)C3=NNC(=C3)C4=CC=CS4

DOS

IR

Vibrations