Geometry & MOs

Info

ID:	240598
PubChem CID:	93616679
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	8.14
IP(EA), eV:	-9.21(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-methylbutan-2-yl]-3-(2-methylsulfonylphenyl)urea

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)NC2=CC(=C(C=C2)Cl)C#N

DOS

IR

Vibrations