Geometry & MOs

Info

ID:

50047

PubChem CID:

11539014

Reduced:

F2O7H18C21 (1)

Stoich.:

A2B7C18D21 (1)

Weight, g/mol:

420.190989

ΔHf, kcal/mol:

-347.18

Dipole, Da:

3.36

IP(EA), eV:

 -10.06(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[hydroxy-[[2-(1,2,4-triazol-1-yl)phenyl]methylamino]methylidene]spiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclopentane]-3,4-dione

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H](C([C@H](O1)COC(=O)C2=CC=CC=C2)(F)F)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations