Geometry & MOs

Info

ID:

415883

PubChem CID:

135088885

Reduced:

FN3O5C23H30 (1)

Stoich.:

AB3C5D23E30 (1)

Weight, g/mol:

558.211449

ΔHf, kcal/mol:

-240.72

Dipole, Da:

10.07

IP(EA), eV:

 -9.07(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-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

CCC[C@@]1(CN(CC[C@@H]1O)C(=O)C2=CNC3=CC(=C(C=C3C2=O)F)N4CCOCC4)CO

DOS

IR

Vibrations