Geometry & MOs

Info

ID:

426297

PubChem CID:

135143213

Reduced:

S2N5O5C36H41 (1)

Stoich.:

A2B5C5D36E41 (1)

Weight, g/mol:

475.05767

ΔHf, kcal/mol:

-81.98

Dipole, Da:

7.48

IP(EA), eV:

 -9.0(-0.77)

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]carbamate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(SC(=N3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)OCC6=CC=CC=C6)C

DOS

IR

Vibrations