Geometry & MOs

Info

ID:

397395

PubChem CID:

135030156

Reduced:

N3O6C11H18 (1)

Stoich.:

A3B6C11D18 (1)

Weight, g/mol:

287.111735

ΔHf, kcal/mol:

-263.24

Dipole, Da:

2.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758465

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,14-triol

Drug info:

PubChemData

Smile

C1C2C(C3C4C1(CC(O2)(O3)O)NC(=[NH+]C4O)N)(CO)O

DOS

IR

Vibrations