Geometry & MOs

Info

ID:	169995
PubChem CID:	75178904
Reduced:	Cl2P3N7O12C19H24 (1)
Stoich.:	A2B3C7D12E19F24 (1)
Weight, g/mol:	448.091388
ΔH_f, kcal/mol:	-581.68
Dipole, Da:	1.87
IP(EA), eV:	-8.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methylanilino)-N-[(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=CC=CC=C1C(=O)NC2C(C(OC2N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O

DOS

IR

Vibrations