Geometry & MOs

Info

ID:

425041

PubChem CID:

135124942

Reduced:

ON2C11H11 (2)

Stoich.:

AB2C11D11 (2)

Weight, g/mol:

446.133651

ΔHf, kcal/mol:

-14.05

Dipole, Da:

5.28

IP(EA), eV:

 -8.85(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-2-[3-[(8R)-6-amino-4,4-dihydroxy-5,8-dimethyl-4lambda4-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-1-fluoroethenyl]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)C(=O)N)OC3=C1C=C(C=C3)C4=CN=C5C(=C4)C=CC=N5

DOS

IR

Vibrations