Geometry & MOs

Info

ID:	301468
PubChem CID:	123080888
Reduced:	ClOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	520.169975
ΔH_f, kcal/mol:	99.93
Dipole, Da:	6.57
IP(EA), eV:	-8.88(-0.82)
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-(3-ethoxy-4-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations