Geometry & MOs

Info

ID:

181662

PubChem CID:

76772947

Reduced:

NC7H7 (4)

Stoich.:

AB7C7 (4)

Weight, g/mol:

658.316663

ΔHf, kcal/mol:

131.69

Dipole, Da:

3.47

IP(EA), eV:

 -8.58(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[6-[2-[3-fluoro-4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxoethyl]phenyl]-1,3-oxazol-5-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC3=C(C2)C=CC(=C3)C#CC4=CC=C(C=C4)C5=C(NC=N5)C6CCCN6

DOS

IR

Vibrations