Geometry & MOs

Info

ID:	170912
PubChem CID:	75300186
Reduced:	SF2N3O7C31H35 (1)
Stoich.:	AB2C3D7E31F35 (1)
Weight, g/mol:	261.98407
ΔH_f, kcal/mol:	-330.28
Dipole, Da:	6.93
IP(EA), eV:	-9.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromofuran-2-yl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C2CN(C(=O)O2)C3=CC(=C(C=C3)F)F)O)S(=O)(=O)C4=CC=C(C=C4)CO

DOS

IR

Vibrations