Geometry & MOs

Info

ID:	301597
PubChem CID:	123087550
Reduced:	SO2N4H26C29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	520.206361
ΔH_f, kcal/mol:	99.86
Dipole, Da:	5.34
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-chloro-4-nonoxyphenyl)-N-[3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=CC(=C2)/C=N\N3C=NN=C3SCC4=CC=CC5=CC=CC=C54)OC

DOS

IR

Vibrations