Geometry & MOs

Info

ID:	67257
PubChem CID:	46506147
Reduced:	BrSN2O6C19H27 (1)
Stoich.:	ABC2D6E19F27 (1)
Weight, g/mol:	522.04602
ΔH_f, kcal/mol:	-236.97
Dipole, Da:	10.18
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations