Geometry & MOs

Info

ID:	312662
PubChem CID:	126607228
Reduced:	OPSF2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	508.226117
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	5.39
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,6S)-2-[3-[[4-[(3,3-dimethyl-1H-2-benzofuran-1-yl)methoxy]phenyl]methyl]-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C/SC2=CC=CC=C2)/C(F)(F)P

DOS

IR

Vibrations