Geometry & MOs

Info

ID:

186895

PubChem CID:

77501565

Reduced:

SN6O6C41H56 (1)

Stoich.:

AB6C6D41E56 (1)

Weight, g/mol:

527.208116

ΔHf, kcal/mol:

-195.38

Dipole, Da:

7.43

IP(EA), eV:

 -8.91(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-fluoro-4-[(2-oxo-8H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

Drug info:

PubChemData

Smile

CCC(C)(CC)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)N3CCN(C3=O)CC4=NC5=CC=CC=C5N4C

DOS

IR

Vibrations