Geometry & MOs

Info

ID:	67240
PubChem CID:	46506122
Reduced:	BrSN2O4C22H33 (1)
Stoich.:	ABC2D4E22F33 (1)
Weight, g/mol:	548.02284
ΔH_f, kcal/mol:	-185.71
Dipole, Da:	6.32
IP(EA), eV:	-8.95(-0.78)
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-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)CC)Br

DOS

IR

Vibrations