Geometry & MOs

Info

ID:	69510
PubChem CID:	47193684
Reduced:	SCl2N2O3C12H14 (1)
Stoich.:	AB2C2D3E12F14 (1)
Weight, g/mol:	312.054466
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	3.0
IP(EA), eV:	-9.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1CNC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations