Geometry & MOs

Info

ID:

304803

PubChem CID:

124766189

Reduced:

ClN3O4C21H24 (1)

Stoich.:

AB3C4D21E24 (1)

Weight, g/mol:

386.093643

ΔHf, kcal/mol:

-144.44

Dipole, Da:

4.54

IP(EA), eV:

 -9.09(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H]4C=C[C@]([C@H]3C2=O)(O4)CNC(=O)NC(C)(C)C)Cl

DOS

IR

Vibrations