Geometry & MOs

Info

ID:

315790

PubChem CID:

126628779

Reduced:

N2O5C20H34 (1)

Stoich.:

A2B5C20D34 (1)

Weight, g/mol:

696.3523

ΔHf, kcal/mol:

-284.89

Dipole, Da:

4.28

IP(EA), eV:

 -9.74(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,5S,11S,17R,18E)-2,11,17-trimethyl-4,10,13,16-tetraoxo-14-propan-2-yl-3-oxa-9,12,15,29-tetrazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaen-17-yl]methyl 2,6-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)CCC(=O)NC(C)(C)CCOC(C)(C)CCC(=O)C

DOS

IR

Vibrations