Geometry & MOs

Info

ID:

423588

PubChem CID:

135119784

Reduced:

ClO3N4C16H17 (1)

Stoich.:

AB3C4D16E17 (1)

Weight, g/mol:

505.232519

ΔHf, kcal/mol:

-68.5

Dipole, Da:

5.78

IP(EA), eV:

 -9.34(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-(3-pyrazol-1-ylpropyl)-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

C1CN(C(=O)CN1CC2=C(NN=C2)C3=CC=C(C=C3)Cl)CC(=O)O

DOS

IR

Vibrations