Geometry & MOs

Info

ID:	314531
PubChem CID:	126622064
Reduced:	BrSN2O4C27H33 (1)
Stoich.:	ABC2D4E27F33 (1)
Weight, g/mol:	302.082409
ΔH_f, kcal/mol:	-86.59
Dipole, Da:	15.31
IP(EA), eV:	-8.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-3,4,5-trihydroxy-2-methyl-1-(3-methylphenyl)sulfonylpentan-1-one

Drug info:

PubChemData

Smile

C[N+](C)(CCCNS(=O)(=O)C1=CC=CC=C1)CCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Br-]

DOS

IR

Vibrations