Geometry & MOs

Info

ID:	33586
PubChem CID:	7887086
Reduced:	BrO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-91.12
Dipole, Da:	5.86
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)COC2=CC=CC=C2Br

DOS

IR

Vibrations