Geometry & MOs

Info

ID:	301488
PubChem CID:	123081801
Reduced:	SCl2O2N4C24H28 (1)
Stoich.:	AB2C2D4E24F28 (1)
Weight, g/mol:	524.120438
ΔH_f, kcal/mol:	10.34
Dipole, Da:	7.53
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-[2-(phenoxymethyl)phenyl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations