Geometry & MOs

Info

ID:

304669

PubChem CID:

124766037

Reduced:

SO4N8C33H42 (1)

Stoich.:

AB4C8D33E42 (1)

Weight, g/mol:

497.231456

ΔHf, kcal/mol:

-56.15

Dipole, Da:

9.72

IP(EA), eV:

 -9.14(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-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

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)N([C@@H](C3=CN(N=C3C)C)C(=O)NC4CCCCC4)C(=O)CN5C6=CC=CC=C6N=N5

DOS

IR

Vibrations