Geometry & MOs

Info

ID:

304675

PubChem CID:

124766043

Reduced:

NO2C11H11 (2)

Stoich.:

AB2C11D11 (2)

Weight, g/mol:

378.157957

ΔHf, kcal/mol:

-124.86

Dipole, Da:

2.59

IP(EA), eV:

 -9.27(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aR)-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

CC1=CC=CC=C1[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)[C@](N2)(C)C(=O)OC

DOS

IR

Vibrations