Geometry & MOs

Info

ID:	234497
PubChem CID:	92298557
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	331.072573
ΔH_f, kcal/mol:	-46.88
Dipole, Da:	1.29
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methylsulfanyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)/C(=C/C1=CC=C(C=C1)C)/N2C=CC=CC2=O

DOS

IR

Vibrations