Geometry & MOs

Info

ID:	301293
PubChem CID:	123071413
Reduced:	ClFSO2N4C20H20 (1)
Stoich.:	ABCD2E4F20G20 (1)
Weight, g/mol:	464.03179
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	9.51
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations