Geometry & MOs

Info

ID:

391051

PubChem CID:

135002516

Reduced:

N2O7H34C35 (1)

Stoich.:

A2B7C34D35 (1)

Weight, g/mol:

594.236601

ΔHf, kcal/mol:

-206.08

Dipole, Da:

2.66

IP(EA), eV:

 -8.87(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (1R,3R,3aS,6aR)-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

CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](N([C@H]3C4=C[C@@H]5[C@H](O4)OC(O5)(C)C)CC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations