Geometry & MOs

Info

ID:

304873

PubChem CID:

124766261

Reduced:

N4O5C33H40 (1)

Stoich.:

A4B5C33D40 (1)

Weight, g/mol:

466.210387

ΔHf, kcal/mol:

-122.28

Dipole, Da:

9.71

IP(EA), eV:

 -8.7(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)[C@@H]2[C@@H]3C(=O)N([C@@H]([C@@]34C=C[C@]2(O4)C)C(=O)NC5CCCCC5)C6=CC=C(C=C6)C7CCCCC7

DOS

IR

Vibrations