Geometry & MOs

Info

ID:

160064

PubChem CID:

57304565

Reduced:

N2O2C34H67 (1)

Stoich.:

A2B2C34D67 (1)

Weight, g/mol:

341.132196

ΔHf, kcal/mol:

-157.97

Dipole, Da:

5.4

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.750827

Charge, e:

0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6R)-3-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC=COCCCC[N+](CCCC)(CCCC)CCCCN1CCCC1=O

DOS

IR

Vibrations