Geometry & MOs

Info

ID:

420230

PubChem CID:

135111973

Reduced:

ON3C8H11 (2)

Stoich.:

AB3C8D11 (2)

Weight, g/mol:

768.421048

ΔHf, kcal/mol:

-25.33

Dipole, Da:

3.35

IP(EA), eV:

 -9.5(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,12S,15R)-9-[(1-benzoylpiperidin-4-yl)amino]-12-benzyl-24-methoxy-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-triene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=NN=C4N3CCCC4

DOS

IR

Vibrations