Geometry & MOs

Info

ID:	66600
PubChem CID:	46504881
Reduced:	BrSN3O3C23H30 (1)
Stoich.:	ABC3D3E23F30 (1)
Weight, g/mol:	552.1206
ΔH_f, kcal/mol:	-83.61
Dipole, Da:	8.67
IP(EA), eV:	-8.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCCCN(CC)CC3=CC=CC=C3)Br

DOS

IR

Vibrations