Geometry & MOs

Info

ID:

193065

PubChem CID:

78337601

Reduced:

SO5N6H26C27 (1)

Stoich.:

AB5C6D26E27 (1)

Weight, g/mol:

455.115107

ΔHf, kcal/mol:

-82.62

Dipole, Da:

5.76

IP(EA), eV:

 -9.48(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-methyl-2-[2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=NC3C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)S(=O)(=O)N

DOS

IR

Vibrations