Geometry & MOs

Info

ID:	67259
PubChem CID:	46506150
Reduced:	BrClSN2O4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	506.08749
ΔH_f, kcal/mol:	-139.02
Dipole, Da:	8.46
IP(EA), eV:	-9.01(-0.9)
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-ethyl-N-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations