Geometry & MOs

Info

ID:

304704

PubChem CID:

124766077

Reduced:

SN2O5C19H24 (1)

Stoich.:

AB2C5D19E24 (1)

Weight, g/mol:

390.161329

ΔHf, kcal/mol:

-179.66

Dipole, Da:

2.93

IP(EA), eV:

 -8.6(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](N[C@H]2C3=CC=C(C=C3)O)(CCSC)C(=O)OC

DOS

IR

Vibrations