Geometry & MOs

Info

ID:

84544

PubChem CID:

49867579

Reduced:

ClNO5C10H20 (1)

Stoich.:

ABC5D10E20 (1)

Weight, g/mol:

519.127779

ΔHf, kcal/mol:

-269.73

Dipole, Da:

1.07

IP(EA), eV:

-9.41(0.84)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6,20-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

Drug info:

PubChemData

Smile

CO[C@H]([C@H]1C[C@H](CC[C@@H]1N[C@H](C(O)O)O)Cl)O

DOS

IR

Vibrations