Geometry & MOs

Info

ID:	303578
PubChem CID:	124489924
Reduced:	ClSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	314.111401
ΔH_f, kcal/mol:	-107.32
Dipole, Da:	7.77
IP(EA), eV:	-9.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-5-nitroanilino)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=C(N=C(S1)C2=CC=CC=C2Cl)C

DOS

IR

Vibrations