Geometry & MOs

Info

ID:	42497
PubChem CID:	8149624
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	412.169488
ΔH_f, kcal/mol:	-46.53
Dipole, Da:	5.59
IP(EA), eV:	-7.74(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(benzenesulfonyl)-5-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methylphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)N[C@H](C3=CC=CC=C3)C(=O)NC(=O)N

DOS

IR

Vibrations