Geometry & MOs

Info

ID:	50798
PubChem CID:	12013386
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	503.125965
ΔH_f, kcal/mol:	21.69
Dipole, Da:	4.4
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl (2E)-2-[hydroxy(methoxy)methylidene]-3,3-diphenoxy-1H-benzo[f][1,2]benzoxaphosphinin-3-ium-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(C2=NC3=CC=CC=C3N2C1)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations