Geometry & MOs

Info

ID:	301620
PubChem CID:	123088497
Reduced:	OSN4C32H32 (1)
Stoich.:	ABC4D32E32 (1)
Weight, g/mol:	487.183067
ΔH_f, kcal/mol:	112.12
Dipole, Da:	4.5
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-(1-methylindol-3-yl)methanimine

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)/C=N\N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)CCC5=CC=CC=C5

DOS

IR

Vibrations