Geometry & MOs

Info

ID:	66295
PubChem CID:	46504150
Reduced:	BrSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	506.09872
ΔH_f, kcal/mol:	-75.51
Dipole, Da:	10.7
IP(EA), eV:	-8.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

DOS

IR

Vibrations