Geometry & MOs

Info

ID:	165574
PubChem CID:	74568653
Reduced:	ClSN2O3H9C17 (1)
Stoich.:	ABC2D3E9F17 (1)
Weight, g/mol:	480.044128
ΔH_f, kcal/mol:	45.52
Dipole, Da:	4.41
IP(EA), eV:	-9.46(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-cyano-3-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-N-(1,3-thiazol-2-yl)prop-2-enimidate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)[O-])N=C2N=C(C(=CC3=CC=C(C=C3)Cl)S2)[O-]

DOS

IR

Vibrations