Geometry & MOs

Info

ID:	66674
PubChem CID:	46505046
Reduced:	BrSN3O4C19H26 (1)
Stoich.:	ABC3D4E19F26 (1)
Weight, g/mol:	517.06709
ΔH_f, kcal/mol:	-115.24
Dipole, Da:	8.59
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)NCCCN4CCOCC4)Br

DOS

IR

Vibrations