Geometry & MOs

Info

ID:	142729
PubChem CID:	53082470
Reduced:	FSN3O4H22C23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	393.125946
ΔH_f, kcal/mol:	-81.65
Dipole, Da:	5.87
IP(EA), eV:	-9.52(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)triazol-4-amine

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3C)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations