Geometry & MOs

Info

ID:	66733
PubChem CID:	46505160
Reduced:	BrSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	487.07765
ΔH_f, kcal/mol:	-153.25
Dipole, Da:	9.51
IP(EA), eV:	-8.08(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-6-yl)sulfonylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NC3=CC4=C(C=C3)OCCO4)Br

DOS

IR

Vibrations