Geometry & MOs

Info

ID:

420520

PubChem CID:

135113589

Reduced:

O3N5C21H27 (1)

Stoich.:

A3B5C21D27 (1)

Weight, g/mol:

548.263485

ΔHf, kcal/mol:

-79.1

Dipole, Da:

6.58

IP(EA), eV:

 -9.34(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations