Geometry & MOs

Info

ID:	78334
PubChem CID:	49688358
Reduced:	BrClSN2O3C14H18 (1)
Stoich.:	ABCD2E3F14G18 (1)
Weight, g/mol:	411.101955
ΔH_f, kcal/mol:	-122.82
Dipole, Da:	3.19
IP(EA), eV:	-9.52(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations