Geometry & MOs

Info

ID:	336916
PubChem CID:	127255923
Reduced:	SN2O7C13H20 (1)
Stoich.:	AB2C7D13E20 (1)
Weight, g/mol:	555.192688
ΔH_f, kcal/mol:	-264.85
Dipole, Da:	8.57
IP(EA), eV:	-9.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-4,6-bis(phenylmethoxy)oxan-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations