Geometry & MOs

Info

ID:	301256
PubChem CID:	123071376
Reduced:	FSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	369.142345
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	6.72
IP(EA), eV:	-8.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-[3-[(4-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)OC)OC)OC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations