Geometry & MOs

Info

ID:

304670

PubChem CID:

124766038

Reduced:

N3O4C30H31 (1)

Stoich.:

A3B4C30D31 (1)

Weight, g/mol:

497.231456

ΔHf, kcal/mol:

-98.5

Dipole, Da:

5.29

IP(EA), eV:

 -8.36(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

DOS

IR

Vibrations