Geometry & MOs

Info

ID:	396167
PubChem CID:	135027562
Reduced:	O2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	449.162057
ΔH_f, kcal/mol:	-259.04
Dipole, Da:	4.22
IP(EA), eV:	-10.66(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R)-N-benzyl-3,4-dihydroxy-5-methyl-6-[2-(4-methylphenyl)sulfonylhydrazinyl]oxane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C(O1)C3[C@H](O2)[C@@H](C(=O)O3)O)C

DOS

IR

Vibrations