Geometry & MOs

Info

ID:	301296
PubChem CID:	123071416
Reduced:	FOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	478.04744
ΔH_f, kcal/mol:	41.72
Dipole, Da:	5.84
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(5-bromo-2,3-dimethoxyphenyl)-N-[3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=CC=C2OC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations