Geometry & MOs

Info

ID:

222747

PubChem CID:

85332288

Reduced:

BrFN3O5H21C22 (1)

Stoich.:

ABC3D5E21F22 (1)

Weight, g/mol:

508.26857

ΔHf, kcal/mol:

-204.27

Dipole, Da:

3.43

IP(EA), eV:

 -8.87(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 1-amino-4-oxopyrido[2,3-c]pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C=C(C3=CC(=CC(=C3)N)C(=O)OC)Br)F

DOS

IR

Vibrations