Geometry & MOs

Info

ID:

304674

PubChem CID:

124766042

Reduced:

N5O5C28H35 (1)

Stoich.:

A5B5C28D35 (1)

Weight, g/mol:

378.157957

ΔHf, kcal/mol:

-124.84

Dipole, Da:

6.17

IP(EA), eV:

 -8.98(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aS)-3-methyl-1-(2-methylphenyl)-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H](C(=O)NC[C@H]2CCCO2)N(C[C@H]3CCCO3)C(=O)CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations