Geometry & MOs

Info

ID:	301518
PubChem CID:	123084291
Reduced:	ClFSO4N5H19C20 (1)
Stoich.:	ABCD4E5F19G20 (1)
Weight, g/mol:	482.074631
ΔH_f, kcal/mol:	-8.13
Dipole, Da:	4.82
IP(EA), eV:	-9.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])/C=N\N2C=NN=C2SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations