Geometry & MOs

Info

ID:

423827

PubChem CID:

135120383

Reduced:

N3O3C17H21 (1)

Stoich.:

A3B3C17D21 (1)

Weight, g/mol:

508.232185

ΔHf, kcal/mol:

-86.51

Dipole, Da:

4.53

IP(EA), eV:

 -9.5(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(1-aminocyclopentanecarbonyl)-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)C3=CC=C(C=C3)CO

DOS

IR

Vibrations