Geometry & MOs

Info

ID:	240591
PubChem CID:	93616646
Reduced:	SN2O3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-137.35
Dipole, Da:	8.91
IP(EA), eV:	-9.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5-methylsulfonylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)C)C

DOS

IR

Vibrations