Geometry & MOs

Info

ID:	44678
PubChem CID:	10505322
Reduced:	SN3O6H23C25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	493.210052
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	8.11
IP(EA), eV:	-9.96(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5R,6R)-2-methoxy-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=C(C=CC(=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4)C(=O)O)C(=O)O)C

DOS

IR

Vibrations