Geometry & MOs

Info

ID:	66636
PubChem CID:	46504963
Reduced:	BrSN2O3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	426.06128
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	8.74
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations