Geometry & MOs

Info

ID:	396103
PubChem CID:	135027386
Reduced:	ClO2N8H19C23 (1)
Stoich.:	AB2C8D19E23 (1)
Weight, g/mol:	343.124215
ΔH_f, kcal/mol:	114.67
Dipole, Da:	7.12
IP(EA), eV:	-9.26(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-5-butyl-2-phenyl-2H-1,3-oxazole

Drug info:

PubChemData

Smile

C1CN2C3=C(C(C(=C2N1CC4=CN=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5)C(=C(C(=N3)N)C#N)N

DOS

IR

Vibrations