Geometry & MOs

Info

ID:

191778

PubChem CID:

78187575

Reduced:

FON5C22H30 (1)

Stoich.:

ABC5D22E30 (1)

Weight, g/mol:

592.178502

ΔHf, kcal/mol:

-47.6

Dipole, Da:

4.62

IP(EA), eV:

 -8.76(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(3-methyl-5-methylidene-2,4-dioxopyrimidin-1-ium-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-6-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCN1C2C(CCCN2)C(=O)N(C3C1NC(CC3)C4=CNC5=C4C=C(C=C5)F)C

DOS

IR

Vibrations