Geometry & MOs

Info

ID:	66586
PubChem CID:	46504860
Reduced:	BrN2S2O3C16H17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	505.06709
ΔH_f, kcal/mol:	-63.7
Dipole, Da:	10.09
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCC3=CC=CS3)Br

DOS

IR

Vibrations