Geometry & MOs

Info

ID:	270616
PubChem CID:	103637330
Reduced:	BrNO2F3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	367.00418
ΔH_f, kcal/mol:	-222.54
Dipole, Da:	2.38
IP(EA), eV:	-9.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCCOCC(F)(F)F)O

DOS

IR

Vibrations