Geometry & MOs

Info

ID:

304980

PubChem CID:

124766384

Reduced:

N4O5C24H34 (1)

Stoich.:

A4B5C24D34 (1)

Weight, g/mol:

364.118985

ΔHf, kcal/mol:

-155.2

Dipole, Da:

8.78

IP(EA), eV:

 -8.89(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-1-(4-chlorophenyl)-5-methyl-4,6-dioxo-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)NC(C)(C)C)CCC(C)C

DOS

IR

Vibrations