Geometry & MOs

Info

ID:	66665
PubChem CID:	46505032
Reduced:	BrSN2F3O4H16C19 (1)
Stoich.:	ABC2D3E4F16G19 (1)
Weight, g/mol:	490.09258
ΔH_f, kcal/mol:	-246.31
Dipole, Da:	9.92
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-5-bromo-N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NC4=CC=C(C=C4)OC(F)(F)F)Br

DOS

IR

Vibrations