Geometry & MOs

Info

ID:	135961
PubChem CID:	51959685
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	345.174908
ΔH_f, kcal/mol:	8.1
Dipole, Da:	3.09
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1C2=C(CCN1C(=O)NCC3=C(N=CC=C3)N(C)C)SC=C2

DOS

IR

Vibrations