Geometry & MOs

Info

ID:

327190

PubChem CID:

126689182

Reduced:

FO2N5C26H30 (1)

Stoich.:

AB2C5D26E30 (1)

Weight, g/mol:

855.336745

ΔHf, kcal/mol:

-64.9

Dipole, Da:

3.36

IP(EA), eV:

 -8.56(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoic acid;[4-[1-[(4,4-difluorocyclohexyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=C(N=C(C=C4)OCCCN5CCCC5)F

DOS

IR

Vibrations