Geometry & MOs

Info

ID:	165935
PubChem CID:	74616804
Reduced:	FN3O5C27H27 (1)
Stoich.:	AB3C5D27E27 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	10.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.101913
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-1-[2-(dimethylazaniumyl)ethyl]-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC=C(C=C4)F)[O-])C(=O)C(=O)N3CCCN5CCOCC5

DOS

IR

Vibrations