Geometry & MOs

Info

ID:	64297
PubChem CID:	29198969
Reduced:	BrSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-17.26
Dipole, Da:	1.51
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC[C@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)NNC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations