Geometry & MOs

Info

ID:	139436
PubChem CID:	52530997
Reduced:	ClFNSO3C19H21 (1)
Stoich.:	ABCDE3F19G21 (1)
Weight, g/mol:	291.111542
ΔH_f, kcal/mol:	-134.37
Dipole, Da:	6.36
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(3-methylbutyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2=C(C=CC=C2Cl)F)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations