Geometry & MOs

Info

ID:	172660
PubChem CID:	75537692
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	334.144806
ΔH_f, kcal/mol:	3.76
Dipole, Da:	6.09
IP(EA), eV:	-8.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azepan-1-yl)-2-oxoethyl]-5-chloro-3,3-dimethylindol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)NCCC2=NC(=CS2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations