Geometry & MOs

Info

ID:	230417
PubChem CID:	87570850
Reduced:	BrOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	470.206444
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	1.51
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[4-[(4-ethoxy-2-fluorophenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations