Geometry & MOs

Info

ID:	26821
PubChem CID:	798808
Reduced:	SN2O5C14H14 (1)
Stoich.:	AB2C5D14E14 (1)
Weight, g/mol:	318.113506
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	8.48
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations