Geometry & MOs

Info

ID:	144498
PubChem CID:	53378300
Reduced:	FSN2O4C29H31 (1)
Stoich.:	ABC2D4E29F31 (1)
Weight, g/mol:	421.111457
ΔH_f, kcal/mol:	-145.08
Dipole, Da:	2.03
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCN(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC=CC=C4)S(=O)(=O)C

DOS

IR

Vibrations