Geometry & MOs

Info

ID:	301524
PubChem CID:	123084476
Reduced:	ClFOSN4H20C23 (1)
Stoich.:	ABCDE4F20G23 (1)
Weight, g/mol:	479.083031
ΔH_f, kcal/mol:	44.57
Dipole, Da:	7.29
IP(EA), eV:	-8.5(-0.87)
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-(3-ethoxy-4-methoxy-5-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)/C=N\N3C(=NN=C3SCC4=C(C=CC=C4Cl)F)C

DOS

IR

Vibrations