Geometry & MOs

Info

ID:

51706

PubChem CID:

12014428

Reduced:

SN6O6H18C25 (1)

Stoich.:

AB6C6D18E25 (1)

Weight, g/mol:

528.157974

ΔHf, kcal/mol:

-35.36

Dipole, Da:

2.54

IP(EA), eV:

 -8.64(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[[6-[4-(dimethylamino)phenyl]-2-oxo-1H-pyrimidin-4-yl]amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC3=NC(=O)NC(=C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations