Geometry & MOs

Info

ID:	301472
PubChem CID:	123080903
Reduced:	ClSN5C27H28 (1)
Stoich.:	ABC5D27E28 (1)
Weight, g/mol:	422.09681
ΔH_f, kcal/mol:	131.39
Dipole, Da:	8.35
IP(EA), eV:	-8.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(5-methylfuran-2-yl)methanimine

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations