Geometry & MOs

Info

ID:	396201
PubChem CID:	135027710
Reduced:	NH35C44 (1)
Stoich.:	AB35C44 (1)
Weight, g/mol:	413.0963
ΔH_f, kcal/mol:	141.5
Dipole, Da:	3.19
IP(EA), eV:	-7.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-diethoxyphosphoryl-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=C(C=C5)N(C(=C6C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C

DOS

IR

Vibrations