Geometry & MOs

Info

ID:	282126
PubChem CID:	103916408
Reduced:	ClNC13H16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	310.109962
ΔH_f, kcal/mol:	52.92
Dipole, Da:	2.33
IP(EA), eV:	-9.11(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-cyano-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NCCCC#C

DOS

IR

Vibrations