Geometry & MOs

Info

ID:	301535
PubChem CID:	123084649
Reduced:	ClFOSN4H22C25 (1)
Stoich.:	ABCDE4F22G25 (1)
Weight, g/mol:	507.114331
ΔH_f, kcal/mol:	56.05
Dipole, Da:	6.34
IP(EA), eV:	-8.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations