Geometry & MOs

Info

ID:

304621

PubChem CID:

124765988

Reduced:

N3O4C30H33 (1)

Stoich.:

A3B4C30D33 (1)

Weight, g/mol:

448.220951

ΔHf, kcal/mol:

-105.92

Dipole, Da:

9.87

IP(EA), eV:

 -8.44(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@@H]4C(=O)NC(C)(C)C)C5=CC6=C(CCC6)C=C5)O3

DOS

IR

Vibrations