Geometry & MOs

Info

ID:	45878
PubChem CID:	10518551
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	303.022912
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	5.29
IP(EA), eV:	-9.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-4-chloro-3-(4-chloro-2-fluorophenyl)-1,3-oxazol-2-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=C(C=C1)C)C2=CC=CC=C2

DOS

IR

Vibrations