Geometry & MOs

Info

ID:	156676
PubChem CID:	56371650
Reduced:	OCl2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	354.101369
ΔH_f, kcal/mol:	0.02
Dipole, Da:	3.33
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethyl)phenyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]urea

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations