Geometry & MOs

Info

ID:

304911

PubChem CID:

124766304

Reduced:

SN5O7C29H33 (1)

Stoich.:

AB5C7D29E33 (1)

Weight, g/mol:

444.148535

ΔHf, kcal/mol:

-211.85

Dipole, Da:

5.43

IP(EA), eV:

 -9.07(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3S,3aR,6aS)-1-(2-fluorophenyl)-4,6-dioxo-3,5-diphenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@H](C(=O)NC[C@H]3CCCO3)N(C[C@H]4CCCO4)C(=O)CN5C(=O)C6=CC=CC=C6S5(=O)=O

DOS

IR

Vibrations