Geometry & MOs

Info

ID:	301405
PubChem CID:	123080701
Reduced:	ClSN4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	524.097116
ΔH_f, kcal/mol:	92.96
Dipole, Da:	4.94
IP(EA), eV:	-8.76(-0.83)
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-[3,5-dichloro-4-(2-methylpropoxy)phenyl]methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)CC)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations