Geometry & MOs

Info

ID:

379713

PubChem CID:

134460549

Reduced:

FN2O2C36H37 (1)

Stoich.:

AB2C2D36E37 (1)

Weight, g/mol:

450.170333

ΔHf, kcal/mol:

-31.78

Dipole, Da:

5.43

IP(EA), eV:

 -8.98(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl (5Z)-2-(2-fluoro-4-methylanilino)-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)furan-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)CCC2CN=CC(=C2)C3=CC4=C(CCCC=C4C(=O)CC5=CN=C(C=C5)OC6=CC=C(C=C6)F)C=C3

DOS

IR

Vibrations