Geometry & MOs

Info

ID:	397378
PubChem CID:	135030131
Reduced:	FNO5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-235.27
Dipole, Da:	2.19
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-methyl-2-oxo-3-(3-oxobutyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC[C@]1(C2=C(C=CC(=C2)F)N(C1=O)C(=O)OC(C)(C)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations