Geometry & MOs

Info

ID:	139437
PubChem CID:	52531063
Reduced:	NS2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	362.045551
ΔH_f, kcal/mol:	38.3
Dipole, Da:	1.62
IP(EA), eV:	-8.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-thiazol-2-yl)-2-[(4S)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CCN1CCC2=C([C@H]1C3=CC=CS3)C=CS2

DOS

IR

Vibrations