Geometry & MOs

Info

ID:

218857

PubChem CID:

85090073

Reduced:

NSi2O8C23H43 (1)

Stoich.:

AB2C8D23E43 (1)

Weight, g/mol:

520.122812

ΔHf, kcal/mol:

-457.63

Dipole, Da:

3.16

IP(EA), eV:

 -8.84(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(3,4-difluorophenyl)methyl]-N-[(2-methoxypyridin-4-yl)methyl]-9-methyl-2,2,6,8-tetraoxo-9,9a-dihydro-1H-pyrimido[6,1-c][1,4]thiazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)N1C(C(C2C(C1=O)OC(O2)(C)C)O[Si](C)(C)C(C)C)CO[Si](C)(C)C(C)C

DOS

IR

Vibrations