Geometry & MOs

Info

ID:	343186
PubChem CID:	127266359
Reduced:	ClSO3N4C13H19 (1)
Stoich.:	ABC3D4E13F19 (1)
Weight, g/mol:	288.119796
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	6.05
IP(EA), eV:	-8.68(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrimidin-4-yl-3-[1-(trifluoromethyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=C1Cl)NC(=O)NCC(=O)N=S(=O)(C)C

DOS

IR

Vibrations