Geometry & MOs

Info

ID:	144500
PubChem CID:	53378670
Reduced:	FNSO4C21H24 (1)
Stoich.:	ABCD4E21F24 (1)
Weight, g/mol:	465.06094
ΔH_f, kcal/mol:	-181.8
Dipole, Da:	2.24
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(1S)-1-(2-bromophenyl)-2-ethoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=CC2=C(S1)CCN(C2)[C@@H](C3=CC=CC=C3F)C(=O)OCC

DOS

IR

Vibrations