Geometry & MOs

Info

ID:	69667
PubChem CID:	47205127
Reduced:	BrFNSO3C12H15 (1)
Stoich.:	ABCDE3F12G15 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-154.27
Dipole, Da:	3.5
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC(C1CCCO1)NS(=O)(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations