Geometry & MOs

Info

ID:	55878
PubChem CID:	17396885
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	2.55
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC2=CC=CC=C2C=C1C(=O)NCC(=O)NCC3=CC=CO3

DOS

IR

Vibrations