Geometry & MOs

Info

ID:	258511
PubChem CID:	103154618
Reduced:	SN2O2F3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	297.088019
ΔH_f, kcal/mol:	-238.3
Dipole, Da:	2.18
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC=CC=C1SCC(F)(F)F)CN

DOS

IR

Vibrations