Geometry & MOs

Info

ID:

328072

PubChem CID:

126691951

Reduced:

N3O5F6H29C31 (1)

Stoich.:

A3B5C6D29E31 (1)

Weight, g/mol:

468.140925

ΔHf, kcal/mol:

-451.91

Dipole, Da:

6.12

IP(EA), eV:

 -8.66(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2,5-difluorophenyl)-(5-fluoropyridin-2-yl)-hydroxymethyl]-6-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CC(=O)OC)OC)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations