Geometry & MOs

Info

ID:	301530
PubChem CID:	123084560
Reduced:	ClFSO2N4H24C26 (1)
Stoich.:	ABCD2E4F24G26 (1)
Weight, g/mol:	439.007279
ΔH_f, kcal/mol:	19.01
Dipole, Da:	6.31
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-chloro-3-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C=CC=C2OC)/C=N\N3C(=NN=C3SCC4=C(C=CC=C4Cl)F)C

DOS

IR

Vibrations