Geometry & MOs

Info

ID:	299123
PubChem CID:	117671509
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	525.214106
ΔH_f, kcal/mol:	-13.57
Dipole, Da:	3.8
IP(EA), eV:	-9.52(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-N-[4-(diethoxyphosphorylmethyl)phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C#CC[C@@H]1[C@H](OC1=O)CCC2=CC=CC=C2

DOS

IR

Vibrations