Geometry & MOs

Info

ID:

61192

PubChem CID:

26706911

Reduced:

SO2N4C26H33 (1)

Stoich.:

AB2C4D26E33 (1)

Weight, g/mol:

490.097474

ΔHf, kcal/mol:

-40.33

Dipole, Da:

4.33

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.815297

Charge, e:

0

Chem-info

IUPAC name:

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-6-methyl-4-oxo-N-propylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

DOS

IR

Vibrations