Geometry & MOs

Info

ID:

186414

PubChem CID:

77428453

Reduced:

FN5O7C22H22 (1)

Stoich.:

AB5C7D22E22 (1)

Weight, g/mol:

483.130259

ΔHf, kcal/mol:

-239.71

Dipole, Da:

2.68

IP(EA), eV:

 -8.84(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(17'-fluoro-6'-methyl-2,4,6-trioxospiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-13'-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1C2C3(CC4=CC5=C(C(=C4N2CCO1)F)ON=C5C(=O)N6CCOCC6)C(=O)NC(=O)NC3=O

DOS

IR

Vibrations