Geometry & MOs

Info

ID:

423197

PubChem CID:

135119079

Reduced:

O2N3C22H31 (1)

Stoich.:

A2B3C22D31 (1)

Weight, g/mol:

607.384603

ΔHf, kcal/mol:

-72.66

Dipole, Da:

4.48

IP(EA), eV:

 -8.26(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-2-(3-methylbutanoyl)-6-(2-pyridin-3-ylacetyl)-14-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43)CO

DOS

IR

Vibrations