Geometry & MOs

Info

ID:	79505
PubChem CID:	49786926
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	10.96
IP(EA), eV:	-8.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(benzenesulfonyl)piperidin-2-yl]-N-(4-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN=C3N2C=C(C=C3NC=O)C4=CC=C(C=C4)S(=O)(=O)C)OC

DOS

IR

Vibrations