Geometry & MOs

Info

ID:	342884
PubChem CID:	127266047
Reduced:	SO2F3N5C12H12 (1)
Stoich.:	AB2C3D5E12F12 (1)
Weight, g/mol:	340.134697
ΔH_f, kcal/mol:	-177.32
Dipole, Da:	4.95
IP(EA), eV:	-9.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,5-difluorophenyl)-2-methylpyrazol-3-yl]-3-(1-hydroxy-2-methylpropan-2-yl)oxyurea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C(F)(F)F)NC(=O)NC2=CC(=NC=N2)OC

DOS

IR

Vibrations