Geometry & MOs

Info

ID:	301450
PubChem CID:	123080820
Reduced:	ClSO2N4C28H29 (1)
Stoich.:	ABC2D4E28F29 (1)
Weight, g/mol:	524.120438
ΔH_f, kcal/mol:	47.18
Dipole, Da:	8.77
IP(EA), eV:	-8.68(-0.63)
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-(3-chloro-4-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4)OCC

DOS

IR

Vibrations