Geometry & MOs

Info

ID:	85696
PubChem CID:	49878305
Reduced:	BrSN3O6C26H30 (1)
Stoich.:	ABC3D6E26F30 (1)
Weight, g/mol:	576.14059
ΔH_f, kcal/mol:	-188.86
Dipole, Da:	5.14
IP(EA), eV:	-8.69(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(cyclopropanecarbonyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroindole-7-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C(=CC(=C2)Br)S(=O)(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations