Geometry & MOs

Info

ID:	440706
PubChem CID:	135231054
Reduced:	FNO2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	419.081888
ΔH_f, kcal/mol:	-163.31
Dipole, Da:	4.65
IP(EA), eV:	-9.59(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)methylsulfonylamino]phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CCC1CC(C(=O)N1C(C)(C)OC)F

DOS

IR

Vibrations