Geometry & MOs

Info

ID:	341021
PubChem CID:	127263456
Reduced:	SO2F3N4C9H13 (1)
Stoich.:	AB2C3D4E9F13 (1)
Weight, g/mol:	338.085577
ΔH_f, kcal/mol:	-217.48
Dipole, Da:	5.93
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C(F)(F)F)C(=O)NNC(=S)N

DOS

IR

Vibrations