Geometry & MOs

Info

ID:	80054
PubChem CID:	49832507
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	491.164555
ΔH_f, kcal/mol:	-87.04
Dipole, Da:	4.48
IP(EA), eV:	-8.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-1-oxobutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC2=C(S1)CCN(C2)C(C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C

DOS

IR

Vibrations