Geometry & MOs

Info

ID:	80817
PubChem CID:	49846212
Reduced:	PO4N5C26H42 (1)
Stoich.:	AB4C5D26E42 (1)
Weight, g/mol:	454.119858
ΔH_f, kcal/mol:	-148.97
Dipole, Da:	3.44
IP(EA), eV:	-8.76(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-2-[4-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]methyl]naphthalen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CP(=O)(C)N(CCCCCCCCNC1=C(C(=O)C1=O)NC2=CC=NC=C2)CCCN3CCOCC3

DOS

IR

Vibrations