Geometry & MOs

Info

ID:

179247

PubChem CID:

76455616

Reduced:

NSO11C22H28 (2)

Stoich.:

ABC11D22E28 (2)

Weight, g/mol:

332.137222

ΔHf, kcal/mol:

-907.85

Dipole, Da:

2.37

IP(EA), eV:

 -8.82(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-phenylpropanoyl 4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboperoxoate

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)CO)(O)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)SC5(C(OCC(C5O)(C6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)(C7C(C(C(C(O7)CO)O)O)O)O

DOS

IR

Vibrations