Geometry & MOs

Info

ID:	66678
PubChem CID:	46505052
Reduced:	BrSN3O5H26C30 (1)
Stoich.:	ABC3D5E26F30 (1)
Weight, g/mol:	477.03579
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	9.59
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]sulfonylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=CC(=C(C=C32)S(=O)(=O)N4CCC5=CC=CC=C5C4CN6C(=O)C7=CC=CC=C7C6=O)Br

DOS

IR

Vibrations