Geometry & MOs

Info

ID:	301291
PubChem CID:	123071411
Reduced:	FSO2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	411.189295
ΔH_f, kcal/mol:	27.74
Dipole, Da:	4.58
IP(EA), eV:	-8.59(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[(Z)-[3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]iminomethyl]aniline

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations