Geometry & MOs

Info

ID:	66515
PubChem CID:	46504716
Reduced:	BrClSN2O4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	470.08749
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	10.16
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-cycloheptylpropanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCC3=CC=C(C=C3)Cl)Br

DOS

IR

Vibrations