Geometry & MOs

Info

ID:

168408

PubChem CID:

74965109

Reduced:

F3N4O7C27H29 (1)

Stoich.:

A3B4C7D27E29 (1)

Weight, g/mol:

477.226371

ΔHf, kcal/mol:

-404.89

Dipole, Da:

4.83

IP(EA), eV:

 -8.79(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-benzyl-1-[[ethyl-(4-methylbenzoyl)amino]methyl]-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C2C(C(N1)CN(C)C(=O)NC3=CC=CC=C3)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations