Geometry & MOs

Info

ID:	144427
PubChem CID:	53367007
Reduced:	OSF2N4H14C20 (1)
Stoich.:	ABC2D4E14F20 (1)
Weight, g/mol:	607.00752
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	3.97
IP(EA), eV:	-8.87(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-6-[(E)-[[2-[[4-cyclohexyl-5-(4-methylphenyl)-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNC3=C2N=CN=C3SCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations