Geometry & MOs

Info

ID:

168407

PubChem CID:

74965043

Reduced:

SN3F4O8C26H27 (1)

Stoich.:

AB3C4D8E26F27 (1)

Weight, g/mol:

578.198834

ΔHf, kcal/mol:

-488.27

Dipole, Da:

11.1

IP(EA), eV:

 -10.07(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-benzyl-3-methyl-1-[[methyl(phenylcarbamoyl)amino]methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN1C(=O)C2C(NC(C2C1=O)(CC3=CC=CC=C3)C(=O)OC)CN(C)S(=O)(=O)C4=CC=C(C=C4)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations