Geometry & MOs

Info

ID:	15432
PubChem CID:	441517
Reduced:	NS2O10C15H21 (1)
Stoich.:	AB2C10D15E21 (1)
Weight, g/mol:	439.060688
ΔH_f, kcal/mol:	-369.84
Dipole, Da:	2.98
IP(EA), eV:	-8.95(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(3-methoxyphenyl)-N-sulfooxyethanimidothioate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=NOS(=O)(=O)O)S[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations