Geometry & MOs

Info

ID:	67258
PubChem CID:	46506148
Reduced:	BrSN2O6C22H23 (1)
Stoich.:	ABC2D6E22F23 (1)
Weight, g/mol:	512.01722
ΔH_f, kcal/mol:	-189.24
Dipole, Da:	12.98
IP(EA), eV:	-8.85(-0.95)
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-chloro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCC3=CC4=C(C=C3)OCO4)Br

DOS

IR

Vibrations