Geometry & MOs

Info

ID:

419554

PubChem CID:

135108411

Reduced:

FO2N3C23H28 (1)

Stoich.:

AB2C3D23E28 (1)

Weight, g/mol:

561.258734

ΔHf, kcal/mol:

-108.62

Dipole, Da:

3.47

IP(EA), eV:

 -9.44(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-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(=CC(=N1)C)C(=O)N2CCCN(CC2)C(=O)CCCC3=CC=C(C=C3)F

DOS

IR

Vibrations