Geometry & MOs

Info

ID:

391050

PubChem CID:

135002494

Reduced:

NPO7C25H32 (1)

Stoich.:

ABC7D25E32 (1)

Weight, g/mol:

594.236601

ΔHf, kcal/mol:

-331.51

Dipole, Da:

3.82

IP(EA), eV:

 -9.38(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (1R,3R,3aR,6aS)-1-[(3aR,6aR)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl]-2-benzyl-5-(4-methylphenyl)-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=CC=C1)C(=O)OC(C(=O)C2=CC=CC=C2)C(=O)NC(C)(C)C)OCC

DOS

IR

Vibrations