Geometry & MOs

Info

ID:	66739
PubChem CID:	46505170
Reduced:	BrSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	507.08274
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	10.63
IP(EA), eV:	-8.94(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-6-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OC)Br

DOS

IR

Vibrations