Geometry & MOs

Info

ID:	173461
PubChem CID:	75640615
Reduced:	NBr3O3C5H7 (1)
Stoich.:	AB3C3D5E7 (1)
Weight, g/mol:	488.143273
ΔH_f, kcal/mol:	-85.09
Dipole, Da:	3.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763503
Charge, e:	-1

Chem-info

IUPAC name:

4-[(2-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)amino]-1,2-diphenylcyclopenta-2,4-dien-1-olate

Drug info:

PubChemData

Smile

CCOC(=O)NC(C(Br)(Br)Br)[O-]

DOS

IR

Vibrations