Geometry & MOs

Info

ID:	67247
PubChem CID:	46506134
Reduced:	BrSN2O4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	543.949
ΔH_f, kcal/mol:	-160.16
Dipole, Da:	2.7
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-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)N3CCCCC3)Br

DOS

IR

Vibrations