Geometry & MOs

Info

ID:	67219
PubChem CID:	46506083
Reduced:	BrSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	561.93958
ΔH_f, kcal/mol:	-165.69
Dipole, Da:	7.24
IP(EA), eV:	-8.26(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)OCC)Br

DOS

IR

Vibrations