Geometry & MOs

Info

ID:	301305
PubChem CID:	123071425
Reduced:	FOSN4C17H17 (1)
Stoich.:	ABCD4E17F17 (1)
Weight, g/mol:	360.087867
ΔH_f, kcal/mol:	36.96
Dipole, Da:	6.1
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=C(O2)C)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations