Geometry & MOs

Info

ID:	66691
PubChem CID:	46505070
Reduced:	BrSN3O3C22H32 (1)
Stoich.:	ABC3D3E22F32 (1)
Weight, g/mol:	457.10348
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	9.39
IP(EA), eV:	-8.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[butyl(methyl)amino]ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CCCNS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br)C

DOS

IR

Vibrations