Geometry & MOs

Info

ID:	197425
PubChem CID:	78965644
Reduced:	SO2N5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	270.091689
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	7.93
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-cyanophenyl)-3-(2-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)NC2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations