Geometry & MOs

Info

ID:	301328
PubChem CID:	123080246
Reduced:	ClSN5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	428.14376
ΔH_f, kcal/mol:	132.49
Dipole, Da:	10.2
IP(EA), eV:	-8.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]-1-[2-(2-methylpropoxy)phenyl]methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=C(C=C2)N(CC)CC3=CC=CC=C3)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations