Geometry & MOs

Info

ID:	301239
PubChem CID:	123071359
Reduced:	FSN4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	332.056567
ΔH_f, kcal/mol:	72.57
Dipole, Da:	6.89
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations