Geometry & MOs

Info

ID:

304698

PubChem CID:

124766069

Reduced:

S2N3O6C23H31 (1)

Stoich.:

A2B3C6D23E31 (1)

Weight, g/mol:

350.103335

ΔHf, kcal/mol:

-214.6

Dipole, Da:

5.43

IP(EA), eV:

 -8.85(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,3S,3aS,6aS)-1-(4-chlorophenyl)-5-ethyl-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(C[C@H]2CCCO2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations