Geometry & MOs

Info

ID:

185232

PubChem CID:

77272704

Reduced:

F3N3O3H22C26 (1)

Stoich.:

A3B3C3D22E26 (1)

Weight, g/mol:

420.06924

ΔHf, kcal/mol:

-161.91

Dipole, Da:

6.13

IP(EA), eV:

 -8.5(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(15-fluoro-11-oxo-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7,9,14,16-heptaen-4-yl)sulfanyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(CN1CC3=NC=CO3)C(=CC=C2)F)C(=O)NC(C4CCC4=O)C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations