Geometry & MOs

Info

ID:	69153
PubChem CID:	46525588
Reduced:	SO3N5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	36.59
Dipole, Da:	2.82
IP(EA), eV:	-8.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations