Geometry & MOs

Info

ID:	67209
PubChem CID:	46506067
Reduced:	BrSN2O4C21H29 (1)
Stoich.:	ABC2D4E21F29 (1)
Weight, g/mol:	456.07184
ΔH_f, kcal/mol:	-174.52
Dipole, Da:	11.15
IP(EA), eV:	-9.13(-0.98)
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-cyclopentylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3CCCCCC3)Br

DOS

IR

Vibrations