Geometry & MOs

Info

ID:

392995

PubChem CID:

135018846

Reduced:

N2O5H30C32 (1)

Stoich.:

A2B5C30D32 (1)

Weight, g/mol:

522.215472

ΔHf, kcal/mol:

-123.25

Dipole, Da:

2.24

IP(EA), eV:

 -8.53(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[2-[(3R,3aR,6aS)-2-methyl-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]-6-methoxy-3,4-dihydronaphthalen-1-yl]benzoate

Drug info:

PubChemData

Smile

CN1C[C@@H]2[C@H]([C@H]1C3=C(C4=C(CC3)C=C(C=C4)OC)C5=CC=C(C=C5)C(=O)OC)C(=O)N(C2=O)C6=CC=CC=C6

DOS

IR

Vibrations