Geometry & MOs

Info

ID:

418179

PubChem CID:

135103769

Reduced:

ON5C16H27 (1)

Stoich.:

AB5C16D27 (1)

Weight, g/mol:

561.316249

ΔHf, kcal/mol:

-4.09

Dipole, Da:

3.5

IP(EA), eV:

 -8.52(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5S,8S,11R,14S)-8-[(4-methoxyphenyl)methyl]-11-methyl-5-(2-methylpropyl)-3,6,9,12-tetraoxo-14-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=CN=C3N(C)C)CO

DOS

IR

Vibrations