Geometry & MOs

Info

ID:

309724

PubChem CID:

126556327

Reduced:

FPN3O10C26H29 (1)

Stoich.:

ABC3D10E26F29 (1)

Weight, g/mol:

401.132174

ΔHf, kcal/mol:

-471.87

Dipole, Da:

10.53

IP(EA), eV:

 -8.96(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(Z)-(6-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]-4-(3-hydroxyphenyl)piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)NP(=O)(OC1[C@]2([C@@]1(O[C@H]([C@]2(C)O)N3C=CC(=O)NC3=O)F)O)OC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations