Geometry & MOs

Info

ID:	137435
PubChem CID:	52208465
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	353.086784
ΔH_f, kcal/mol:	17.09
Dipole, Da:	2.11
IP(EA), eV:	-9.03(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbamoyl-7-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-4H-thieno[3,2-b]pyridin-5-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)N[C@@H](C2=CC=CC=C2)C3=NC=CN3C

DOS

IR

Vibrations