Geometry & MOs

Info

ID:	88873
PubChem CID:	49957359
Reduced:	SN8H20C21 (1)
Stoich.:	AB8C20D21 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	198.31
Dipole, Da:	7.31
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[2-(4-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]-[1,2,4]triazolo[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N3C1=NN4C3=NN=C4SCC5=NC6=CC=CC=C6N5C

DOS

IR

Vibrations