Geometry & MOs

Info

ID:	406521
PubChem CID:	135077954
Reduced:	BrMgOC4H9 (1)
Stoich.:	ABCD4E9 (1)
Weight, g/mol:	566.154325
ΔH_f, kcal/mol:	-117.42
Dipole, Da:	2.78
IP(EA), eV:	-9.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[chloro-[[4-hydroxy-5-(1H-indol-3-yl)-6-phenyl-5H-1,2,4-triazin-3-yl]methyl]-(4-methylphenyl)-lambda4-sulfanyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)C[O-].[Mg+2].[Br-]

DOS

IR

Vibrations