Geometry & MOs

Info

ID:	301245
PubChem CID:	123071365
Reduced:	FSO2N4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	407.157995
ΔH_f, kcal/mol:	22.03
Dipole, Da:	9.61
IP(EA), eV:	-9.08(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1N/C=C/2\C=CC(=O)C(=C2)OC)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations