Geometry & MOs

Info

ID:	142427
PubChem CID:	53032719
Reduced:	ON4H16C19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	414.107185
ΔH_f, kcal/mol:	104.42
Dipole, Da:	4.09
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=NC=NC3=C2ON=C3C4=CC=CC=C4

DOS

IR

Vibrations