Geometry & MOs

Info

ID:	67236
PubChem CID:	46506115
Reduced:	BrSN2O6C22H23 (1)
Stoich.:	ABC2D6E22F23 (1)
Weight, g/mol:	460.06676
ΔH_f, kcal/mol:	-225.43
Dipole, Da:	2.2
IP(EA), eV:	-8.92(-1.0)
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-(3-methoxypropyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations