Geometry & MOs

Info

ID:	35891
PubChem CID:	7980452
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	402.98778
ΔH_f, kcal/mol:	-153.16
Dipole, Da:	4.02
IP(EA), eV:	-8.71(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl 2-phenoxyacetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations