Geometry & MOs

Info

ID:	67255
PubChem CID:	46506145
Reduced:	BrSN2O6C22H29 (1)
Stoich.:	ABC2D6E22F29 (1)
Weight, g/mol:	482.03112
ΔH_f, kcal/mol:	-253.48
Dipole, Da:	4.15
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCC(CC3)C(=O)OCC)Br

DOS

IR

Vibrations