Geometry & MOs

Info

ID:	67250
PubChem CID:	46506140
Reduced:	SBr2N2O4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	494.05111
ΔH_f, kcal/mol:	-138.07
Dipole, Da:	9.54
IP(EA), eV:	-8.79(-0.94)
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-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations