Geometry & MOs

Info

ID:

180604

PubChem CID:

76659750

Reduced:

BrFO3N4H20C23 (1)

Stoich.:

ABC3D4E20F23 (1)

Weight, g/mol:

557.229264

ΔHf, kcal/mol:

-62.23

Dipole, Da:

6.14

IP(EA), eV:

 -8.15(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-(2-chloroacetyl)oxy-2-[[7-cyano-2-(2-oxo-2-propan-2-yloxyethyl)-2,3-dihydro-1H-cyclopenta[b]indol-4-yl]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=CN3C(=NC(=C4CC(=CN4)CC5=CC=C(C=C5)F)C(=O)C3=O)C(=C2)Br

DOS

IR

Vibrations