Geometry & MOs

Info

ID:

215062

PubChem CID:

85084076

Reduced:

FSN2O8C36H43 (1)

Stoich.:

ABC2D8E36F43 (1)

Weight, g/mol:

683.221875

ΔHf, kcal/mol:

-324.31

Dipole, Da:

8.41

IP(EA), eV:

 -9.83(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]methyl 8-benzyl-6-methyl-3-(naphthalen-2-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C(=O)C(CCC(C1=CC=CC=C1)O)N(CC2=CC=C(C=C2)F)S(=O)(=O)NC3(CC3)C(=O)O)C(C)(C)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations