Geometry & MOs

Info

ID:	196902
PubChem CID:	78894034
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	390.11619
ΔH_f, kcal/mol:	-10.84
Dipole, Da:	4.43
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyano-4-fluorophenyl)-3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)C(=O)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations