Geometry & MOs

Info

ID:

448972

PubChem CID:

135294925

Reduced:

F2O2N3C34H39 (1)

Stoich.:

A2B2C3D34E39 (1)

Weight, g/mol:

541.247775

ΔHf, kcal/mol:

-162.4

Dipole, Da:

4.19

IP(EA), eV:

 -8.72(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(R)-phenyl(pyridin-2-yl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzenecarboximidate

Drug info:

PubChemData

Smile

CCCCCC(=O)NC1=NC=C(C=C1)C2=CC(=CC3=CC(=CN=C32)C4=C(OC(=C4C)C)C)CC5CCC(CC5)(F)F

DOS

IR

Vibrations