Geometry & MOs

Info

ID:	294721
PubChem CID:	117485598
Reduced:	FNSO3C14H20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	300.97498
ΔH_f, kcal/mol:	-163.58
Dipole, Da:	3.33
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-2-(1-isocyanatocyclopropyl)-6-methoxyphenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1S(=O)(=O)C)F)C2(CCCCC2)N

DOS

IR

Vibrations