Geometry & MOs

Info

ID:

416463

PubChem CID:

135089478

Reduced:

FN6O7C37H45 (1)

Stoich.:

AB6C7D37E45 (1)

Weight, g/mol:

518.198777

ΔHf, kcal/mol:

-223.18

Dipole, Da:

5.01

IP(EA), eV:

 -8.77(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9S,13S)-11-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-oxa-11,14,19-triazatetracyclo[19.3.1.12,6.09,13]hexacosa-1(25),2,4,6(26),21,23-hexaene-15,20-dione

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=CC(=CN=C4)F

DOS

IR

Vibrations