Geometry & MOs

Info

ID:	323381
PubChem CID:	126674647
Reduced:	SN2O3F5C16H21 (1)
Stoich.:	AB2C3D5E16F21 (1)
Weight, g/mol:	316.139862
ΔH_f, kcal/mol:	-343.3
Dipole, Da:	8.36
IP(EA), eV:	-9.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2=C(C=CC(=C2)S(F)(F)(F)(F)F)OC3COC3

DOS

IR

Vibrations