Geometry & MOs

Info

ID:	35844
PubChem CID:	7980396
Reduced:	O5H14C18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-108.64
Dipole, Da:	3.34
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations