Geometry & MOs

Info

ID:	407187
PubChem CID:	135079512
Reduced:	BrFON4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	-9.28
Dipole, Da:	4.24
IP(EA), eV:	-9.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-5-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(C1)N(C2CCC2)C(=O)C3=NN=C4C(=C3N)C=CC(=C4Br)F

DOS

IR

Vibrations