Geometry & MOs

Info

ID:	323372
PubChem CID:	126674605
Reduced:	SO3N4F5C18H21 (1)
Stoich.:	AB3C4D5E18F21 (1)
Weight, g/mol:	316.139862
ΔH_f, kcal/mol:	-314.02
Dipole, Da:	5.64
IP(EA), eV:	-9.83(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(F)(F)(F)(F)F)NC(=O)NC2CCC(CC2)OC3=NC=CC=N3

DOS

IR

Vibrations