Geometry & MOs

Info

ID:

415204

PubChem CID:

135088196

Reduced:

O2N5C23H25 (1)

Stoich.:

A2B5C23D25 (1)

Weight, g/mol:

575.285617

ΔHf, kcal/mol:

6.74

Dipole, Da:

7.35

IP(EA), eV:

 -9.34(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)N[C@@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations