Geometry & MOs

Info

ID:	37737
PubChem CID:	8023847
Reduced:	O3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	-250.03
Dipole, Da:	2.94
IP(EA), eV:	-9.13(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations