Geometry & MOs

Info

ID:	64198
PubChem CID:	29198233
Reduced:	O2S2N3C20H26 (1)
Stoich.:	A2B2C3D20E26 (1)
Weight, g/mol:	399.06161
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	5.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.183727
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-N-[(2S)-2-(1H-indol-3-yl)-2-piperidin-1-ylethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)[NH+]4CCCCC4

DOS

IR

Vibrations