Geometry & MOs

Info

ID:	318098
PubChem CID:	126648949
Reduced:	BrFN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	4.77
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN(C)C(=O)C2=CC(=CNC2=O)Br)F

DOS

IR

Vibrations