Geometry & MOs

Info

ID:	66611
PubChem CID:	46504899
Reduced:	BrSF3N3O3C22H23 (1)
Stoich.:	ABC3D3E3F22G23 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-228.58
Dipole, Da:	4.42
IP(EA), eV:	-8.59(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2-methoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)Br

DOS

IR

Vibrations