Geometry & MOs

Info

ID:	66548
PubChem CID:	46504772
Reduced:	BrSN3O4C24H30 (1)
Stoich.:	ABC3D4E24F30 (1)
Weight, g/mol:	498.00157
ΔH_f, kcal/mol:	-125.87
Dipole, Da:	12.79
IP(EA), eV:	-7.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-[(4-chlorophenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCN(CCCNC(=O)CCS(=O)(=O)C1=C(C=C2CCN(C2=C1)C(=O)C)Br)C3=CC=CC=C3

DOS

IR

Vibrations