Geometry & MOs

Info

ID:	358109
PubChem CID:	127295654
Reduced:	SO2N5C10H17 (1)
Stoich.:	AB2C5D10E17 (1)
Weight, g/mol:	388.227454
ΔH_f, kcal/mol:	-33.01
Dipole, Da:	1.74
IP(EA), eV:	-9.15(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

COCCN1CCC(C1)NC(=O)NC2=NN=CS2

DOS

IR

Vibrations