Geometry & MOs

Info

ID:	44536
PubChem CID:	10503939
Reduced:	NO13C17H29 (1)
Stoich.:	AB13C17D29 (1)
Weight, g/mol:	455.088617
ΔH_f, kcal/mol:	-597.07
Dipole, Da:	4.62
IP(EA), eV:	-10.32(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O

DOS

IR

Vibrations