Geometry & MOs

Info

ID:	301605
PubChem CID:	123087787
Reduced:	OSN4H24C27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	505.178376
ΔH_f, kcal/mol:	119.9
Dipole, Da:	5.7
IP(EA), eV:	-8.4(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-ethoxy-5-nitro-4-propoxyphenyl)-N-[3-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=N\N3C(=NN=C3SCC4=CC=CC5=CC=CC=C54)C

DOS

IR

Vibrations