Geometry & MOs

Info

ID:	64301
PubChem CID:	29198981
Reduced:	BrSF2O2N4H13C17 (1)
Stoich.:	ABC2D2E4F13G17 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	5.77
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)CN2C3=CC=CC=C3N=C2SC(F)F)Br

DOS

IR

Vibrations