Geometry & MOs

Info

ID:	284627
PubChem CID:	104056364
Reduced:	ClSN3O4C12H16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	334.086639
ΔH_f, kcal/mol:	-142.23
Dipole, Da:	6.68
IP(EA), eV:	-9.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]ethyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

C1COCC(N1S(=O)(=O)C2=CC(=C(C=C2)CN)Cl)C(=O)N

DOS

IR

Vibrations