Geometry & MOs

Info

ID:	133307
PubChem CID:	51506710
Reduced:	N3O5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	446.99919
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	0.77
IP(EA), eV:	-9.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-bromo-4-[(E)-[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenolate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=CC=CC=C2[C@]3(C1=O)[C@@H]4[C@@H]([C@@H](N3)C)C(=O)N(C4=O)C5=CC=CC=C5

DOS

IR

Vibrations