Geometry & MOs

Info

ID:

392740

PubChem CID:

135017829

Reduced:

NO3C6H7 (1)

Stoich.:

AB3C6D7 (1)

Weight, g/mol:

672.250307

ΔHf, kcal/mol:

-107.99

Dipole, Da:

4.14

IP(EA), eV:

-10.43(-0.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(5S,7R,9R)-11-diazo-5-ethyl-15,18-bis(methoxymethoxy)-7-(2,4,6-trimethylphenyl)-3-trimethylsilyloxy-6,8-dioxapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(12),2(10),3,14,16,18-hexaene-13,20-dione

Drug info:

PubChemData

Smile

C1C[C@@]2(COC2=O)NC1=O

DOS

IR

Vibrations