Geometry & MOs

Info

ID:	168247
PubChem CID:	74940270
Reduced:	N2O4C17H19 (1)
Stoich.:	A2B4C17D19 (1)
Weight, g/mol:	518.111888
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	3.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.841075
Charge, e:	-1

Chem-info

IUPAC name:

5-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methylidene]-1-(3-chlorophenyl)-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)C(=O)C=CC2=CC=CC=C2)[O-]

DOS

IR

Vibrations