Geometry & MOs

Info

ID:	391998
PubChem CID:	135011820
Reduced:	NSO3C12H14 (2)
Stoich.:	ABC3D12E14 (2)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-109.75
Dipole, Da:	9.7
IP(EA), eV:	-9.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5S,6S)-6-methoxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)C[C@@H]([C@H](CN(CC#C)S(=O)(=O)C2=CC=C(C=C2)C)O)O

DOS

IR

Vibrations