Geometry & MOs

Info

ID:

51835

PubChem CID:

12014588

Reduced:

N3O7H13C23 (1)

Stoich.:

A3B7C13D23 (1)

Weight, g/mol:

439.050588

ΔHf, kcal/mol:

26.89

Dipole, Da:

9.77

IP(EA), eV:

 -10.18(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-8-amino-6-(3H-1,3-benzothiazol-2-ylidene)-5-(4-chlorophenyl)-1,5-dihydropyrido[2,3-d]pyrimidine-2,4,7-trione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3(C2=O)C(C(=NO3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations