Geometry & MOs

Info

ID:	178103
PubChem CID:	76277523
Reduced:	F2N2O5H24C25 (1)
Stoich.:	A2B2C5D24E25 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-244.99
Dipole, Da:	7.58
IP(EA), eV:	-8.38(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-1,3-thiazol-4-yl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC(F)F

DOS

IR

Vibrations