Geometry & MOs

Info

ID:	301454
PubChem CID:	123080832
Reduced:	ClSO2N4H23C26 (1)
Stoich.:	ABC2D4E23F26 (1)
Weight, g/mol:	520.169975
ΔH_f, kcal/mol:	54.9
Dipole, Da:	7.97
IP(EA), eV:	-8.71(-1.12)
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-(4-methoxy-3-propan-2-yloxyphenyl)methanimine

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations