Geometry & MOs

Info

ID:

418581

PubChem CID:

135105908

Reduced:

FNO2C19H26 (1)

Stoich.:

ABC2D19E26 (1)

Weight, g/mol:

607.420989

ΔHf, kcal/mol:

-140.24

Dipole, Da:

3.59

IP(EA), eV:

 -9.13(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-6-(cyclohexylmethyl)-2-(3-methylbutanoyl)-14-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CCC3=CC=CC=C3F

DOS

IR

Vibrations