Geometry & MOs

Info

ID:	269474
PubChem CID:	103617644
Reduced:	SN2O2F3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	214.092912
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	5.34
IP(EA), eV:	-9.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-3-(3,3,3-trifluoro-2-hydroxypropyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)OCC(=O)NCCSC(F)(F)F

DOS

IR

Vibrations