Geometry & MOs

Info

ID:	184323
PubChem CID:	77145534
Reduced:	NCl2O4C26H35 (1)
Stoich.:	AB2C4D26E35 (1)
Weight, g/mol:	456.01681
ΔH_f, kcal/mol:	-177.86
Dipole, Da:	7.69
IP(EA), eV:	-7.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=COC3CC(CCC3C2=O)OC4CCCCC4)N(CCCl)CCCl

DOS

IR

Vibrations