Geometry & MOs

Info

ID:	437152
PubChem CID:	135215313
Reduced:	FNO2Br3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	208.094688
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	2.94
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-(hydroxymethyl)-4,6-dimethoxyoxane-3,5-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C(=O)C2=C(C(=C(N2C)Br)Br)Br)F

DOS

IR

Vibrations