Geometry & MOs

Info

ID:	67218
PubChem CID:	46506082
Reduced:	BrSN2O4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	508.06676
ΔH_f, kcal/mol:	-164.84
Dipole, Da:	5.58
IP(EA), eV:	-8.93(-0.75)
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-(4-ethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCC(CC3)C)Br

DOS

IR

Vibrations