Geometry & MOs

Info

ID:	66559
PubChem CID:	46504795
Reduced:	BrSN2O5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	473.062
ΔH_f, kcal/mol:	-147.64
Dipole, Da:	9.86
IP(EA), eV:	-8.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NCCC3=CC(=C(C=C3)OC)OC)Br

DOS

IR

Vibrations