Geometry & MOs

Info

ID:	67261
PubChem CID:	46506155
Reduced:	BrSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	496.04677
ΔH_f, kcal/mol:	-164.42
Dipole, Da:	11.11
IP(EA), eV:	-8.88(-0.87)
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-fluoro-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCC3=CC(=CC=C3)OC)Br

DOS

IR

Vibrations