Geometry & MOs

Info

ID:	240589
PubChem CID:	93616641
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	2.57
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations