Geometry & MOs

Info

ID:

327479

PubChem CID:

126690061

Reduced:

FOS2N6C25H29 (1)

Stoich.:

ABC2D6E25F29 (1)

Weight, g/mol:

583.274087

ΔHf, kcal/mol:

34.23

Dipole, Da:

5.86

IP(EA), eV:

 -8.6(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2R)-4-[6-[(E)-1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]but-1-en-2-yl]imino-1-methylpyridazin-3-yl]-2-(hydroxymethyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1=C(N=C2N1N=C(C=C2)C3CCN(CC3)SC)CCCO)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations