Geometry & MOs

Info

ID:	435103
PubChem CID:	135180464
Reduced:	Cl2F2O4N5C27H27 (1)
Stoich.:	A2B2C4D5E27F27 (1)
Weight, g/mol:	340.038148
ΔH_f, kcal/mol:	-179.48
Dipole, Da:	6.23
IP(EA), eV:	-8.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methoxy-4-methylidenepyridin-3-imine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC(=C3C=C(N=CC3=C2)N[C@@H]4COC[C@@H]4NC(=O)C=C)N5CCC(C5)(F)F)Cl)OC

DOS

IR

Vibrations