Geometry & MOs

Info

ID:	299025
PubChem CID:	117667862
Reduced:	BrO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-55.33
Dipole, Da:	7.41
IP(EA), eV:	-8.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-3-tert-butylsulfinylimino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C(C3C4CCC(C3C2=O)O4)OC)C)Br

DOS

IR

Vibrations