Geometry & MOs

Info

ID:	43491
PubChem CID:	10321384
Reduced:	NF3S3O4H12C17 (1)
Stoich.:	AB3C3D4E12F17 (1)
Weight, g/mol:	447.168188
ΔH_f, kcal/mol:	-224.68
Dipole, Da:	4.92
IP(EA), eV:	-9.9(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,6R)-6-(4-nitrophenoxy)-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations