Geometry & MOs

Info

ID:

304860

PubChem CID:

124766247

Reduced:

S2N3O7C24H31 (1)

Stoich.:

A2B3C7D24E31 (1)

Weight, g/mol:

490.119858

ΔHf, kcal/mol:

-244.18

Dipole, Da:

7.56

IP(EA), eV:

 -8.72(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dioxo-3-phenyl-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(C[C@H]3CCCO3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations