Geometry & MOs

Info

ID:	195275
PubChem CID:	78668059
Reduced:	BrO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	401.073322
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	2.3
IP(EA), eV:	-8.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC(=O)C2COC3=CC=CC=C3O2)Br

DOS

IR

Vibrations