Geometry & MOs

Info

ID:	301420
PubChem CID:	123080730
Reduced:	ClSN5C23H24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	458.154325
ΔH_f, kcal/mol:	118.56
Dipole, Da:	5.17
IP(EA), eV:	-8.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-ethoxy-2-methoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CN(C3=CC=CC=C32)C)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations