Geometry & MOs

Info

ID:	343350
PubChem CID:	127266523
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-114.73
Dipole, Da:	3.94
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenyl)-1-(2-methylsulfonylethyl)-1-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=CC(=O)N2CCCC2CC(C)O

DOS

IR

Vibrations