Geometry & MOs

Info

ID:	343196
PubChem CID:	127266369
Reduced:	FOCl2N3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	311.055147
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	3.2
IP(EA), eV:	-9.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-2-yl)-3-[2-(trifluoromethylsulfonyl)ethyl]urea

Drug info:

PubChemData

Smile

C1=CC(=NC=C1F)NC(=O)NCC(Cl)Cl

DOS

IR

Vibrations