Geometry & MOs

Info

ID:	125966
PubChem CID:	50946044
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	383.186987
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	4.17
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3-fluoro-2-methylphenyl)urea

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations