Geometry & MOs

Info

ID:	184324
PubChem CID:	77145535
Reduced:	BrFSN6H14C19 (1)
Stoich.:	ABCD6E14F19 (1)
Weight, g/mol:	423.091372
ΔH_f, kcal/mol:	137.92
Dipole, Da:	5.68
IP(EA), eV:	-9.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)NN=C(CN3C=NC=N3)C4=CC=C(C=C4)F)Br

DOS

IR

Vibrations