Geometry & MOs

Info

ID:

168406

PubChem CID:

74964205

Reduced:

F3N3O7C28H32 (1)

Stoich.:

A3B3C7D28E32 (1)

Weight, g/mol:

617.145499

ΔHf, kcal/mol:

-399.34

Dipole, Da:

10.83

IP(EA), eV:

 -9.5(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2C3C(CC(C3OCC4=CC=CC=C4)(O2)COCC5=CC=CC=C5)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations