Geometry & MOs

Info

ID:	66634
PubChem CID:	46504955
Reduced:	BrFSN2O3H16C18 (1)
Stoich.:	ABCD2E3F16G18 (1)
Weight, g/mol:	446.02998
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	9.87
IP(EA), eV:	-8.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-bromo-6-(2,3-dihydroindol-1-ylsulfonyl)-2,3-dihydroindol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NC4=CC=CC=C4F)Br

DOS

IR

Vibrations