Geometry & MOs

Info

ID:

392936

PubChem CID:

135018576

Reduced:

N2O7H15C18 (1)

Stoich.:

A2B7C15D18 (1)

Weight, g/mol:

454.137616

ΔHf, kcal/mol:

-195.63

Dipole, Da:

6.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.267306

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-11-diazo-3,4-dihydroxy-15-(methoxymethoxy)-5,7,7-trimethyl-6,8-dioxapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(12),2(10),14(19),15,17-pentaene-13,20-dione

Drug info:

PubChemData

Smile

C[C@]1([C@@H](C2=C([C@@H](C1O)O)C3=C(C4=CC=CC(=O)C4=C(C3=C2[N+]#N)O)O)O)O

DOS

IR

Vibrations