Geometry & MOs

Info

ID:

423838

PubChem CID:

135120462

Reduced:

ON5C17H21 (1)

Stoich.:

AB5C17D21 (1)

Weight, g/mol:

594.268964

ΔHf, kcal/mol:

2.35

Dipole, Da:

7.6

IP(EA), eV:

 -9.05(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[1-(2-ethoxyacetyl)piperidine-4-carbonyl]-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=C2CCCCC2=NC(=N1)CNC3=NC=C(C(=N3)C)C(=O)C

DOS

IR

Vibrations