Geometry & MOs

Info

ID:

427709

PubChem CID:

135161574

Reduced:

F3N4O4H23C26 (1)

Stoich.:

A3B4C4D23E26 (1)

Weight, g/mol:

526.146404

ΔHf, kcal/mol:

-217.15

Dipole, Da:

5.78

IP(EA), eV:

 -8.66(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S)-2-[2-hydroxy-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]phenyl]-1-bicyclo[1.1.0]butanyl]-3-[3-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC1C=NC2=C(C1OC3=CC4=C(C=C3)O[C@H]5[C@@H]4[C@@H]5NC(=O)NC6=CC=CC=C6C(F)(F)F)CCC(=O)N2

DOS

IR

Vibrations