Geometry & MOs

Info

ID:	67242
PubChem CID:	46506124
Reduced:	BrSN2O6C24H29 (1)
Stoich.:	ABC2D6E24F29 (1)
Weight, g/mol:	506.08749
ΔH_f, kcal/mol:	-214.14
Dipole, Da:	7.49
IP(EA), eV:	-8.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=C(C=CC(=C3)OCC)OCC)Br

DOS

IR

Vibrations