Geometry & MOs

Info

ID:	66650
PubChem CID:	46504991
Reduced:	BrSN3O4C24H26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	503.08783
ΔH_f, kcal/mol:	-81.76
Dipole, Da:	12.14
IP(EA), eV:	-8.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-benzylpiperazin-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C5CC5)Br

DOS

IR

Vibrations