Geometry & MOs

Info

ID:

391148

PubChem CID:

135003148

Reduced:

NO4H15C17 (1)

Stoich.:

AB4C15D17 (1)

Weight, g/mol:

579.228844

ΔHf, kcal/mol:

-89.83

Dipole, Da:

2.52

IP(EA), eV:

 -8.74(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (14S,18S,19R)-19-[tert-butyl(dimethyl)silyl]oxy-16,16-dimethyl-11-oxo-5,7,15,17-tetraoxa-12-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-1(20),2,4(8),9-tetraene-12-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C3=C2C=C(C=C3)C(=O)OC)OC

DOS

IR

Vibrations