Geometry & MOs

Info

ID:

425109

PubChem CID:

135125183

Reduced:

FO2N6C20H21 (1)

Stoich.:

AB2C6D20E21 (1)

Weight, g/mol:

575.1101

ΔHf, kcal/mol:

-23.45

Dipole, Da:

2.26

IP(EA), eV:

 -8.95(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(8R)-8-(5-bromo-2-fluorophenyl)-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-en-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=CC(=C1)NC2=NN(C=C2C(=O)N)C3COCCC3C#N)C#N)F

DOS

IR

Vibrations