Geometry & MOs

Info

ID:

320117

PubChem CID:

126658319

Reduced:

FO6N10C46H59 (1)

Stoich.:

AB6C10D46E59 (1)

Weight, g/mol:

317.11757

ΔHf, kcal/mol:

-238.44

Dipole, Da:

4.12

IP(EA), eV:

 -8.58(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 15-fluoro-5-methyl-3-oxa-5,9,11-triazatetracyclo[10.4.0.02,4.07,11]hexadeca-1(12),7,9,13,15-pentaene-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)CC(C=C3)(C)[C@H]4CC[C@@H](N4C5=CC(=NC=C5)F)C6=CC7=C(C=C6)N=C(N7)[C@@H]8CCCN8C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations