Geometry & MOs

Info

ID:	301464
PubChem CID:	123080878
Reduced:	ClSN5C26H26 (1)
Stoich.:	ABC5D26E26 (1)
Weight, g/mol:	476.14376
ΔH_f, kcal/mol:	143.51
Dipole, Da:	10.63
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations