Geometry & MOs

Info

ID:

328913

PubChem CID:

126729188

Reduced:

SN5H55C91 (1)

Stoich.:

AB5C55D91 (1)

Weight, g/mol:

459.346092

ΔHf, kcal/mol:

436.17

Dipole, Da:

5.45

IP(EA), eV:

 -7.93(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(1-azaspiro[5.9]pentadecan-2-yl)-2-oxoethyl]-5-cyclohexyl-1,5-dimethylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)C9=CC=CC=C9)C1=C3C=CC(=C1)C1=CC2=C(C=C1)C1=C(N2C2=CC=C(C=C2)C#N)C=CC(=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations