Geometry & MOs

Info

ID:	301330
PubChem CID:	123080304
Reduced:	ClFSN4H16C18 (1)
Stoich.:	ABCD4E16F18 (1)
Weight, g/mol:	436.052752
ΔH_f, kcal/mol:	70.26
Dipole, Da:	6.63
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[(Z)-[3-[(3-chlorophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-yl]iminomethyl]-6-methoxyphenol

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=CC=C2)F)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations