Geometry & MOs

Info

ID:	301599
PubChem CID:	123087585
Reduced:	SO2N4H28C30 (1)
Stoich.:	AB2C4D28E30 (1)
Weight, g/mol:	422.09681
ΔH_f, kcal/mol:	91.72
Dipole, Da:	6.77
IP(EA), eV:	-8.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations