Geometry & MOs

Info

ID:	342032
PubChem CID:	127264745
Reduced:	ClON2C13H25 (1)
Stoich.:	ABC2D13E25 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	2.3
IP(EA), eV:	-8.84(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-(2-methylsulfonylethyl)-1-propan-2-ylurea

Drug info:

PubChemData

Smile

CCC=C(C)C(=O)NCCC1CCCNC1.Cl

DOS

IR

Vibrations