Geometry & MOs

Info

ID:	301533
PubChem CID:	123084583
Reduced:	ClFSN5C19H19 (1)
Stoich.:	ABCD5E19F19 (1)
Weight, g/mol:	497.99282
ΔH_f, kcal/mol:	74.32
Dipole, Da:	6.97
IP(EA), eV:	-8.46(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC=C(C=C2)N(C)C)SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations