Geometry & MOs

Info

ID:	67254
PubChem CID:	46506144
Reduced:	BrSN2O6C23H25 (1)
Stoich.:	ABC2D6E23F25 (1)
Weight, g/mol:	528.09297
ΔH_f, kcal/mol:	-212.67
Dipole, Da:	8.82
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations