Geometry & MOs

Info

ID:

329518

PubChem CID:

126737766

Reduced:

SF4O4N5C26H27 (1)

Stoich.:

AB4C4D5E26F27 (1)

Weight, g/mol:

599.162566

ΔHf, kcal/mol:

-289.9

Dipole, Da:

5.84

IP(EA), eV:

 -8.98(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(2,2-dimethylpropanoylamino)-5-(trifluoromethyl)pyridin-2-yl]methyl 2-(4-aminosulfanyl-2,3-difluorobenzoyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=C(N=CC(=C1)C(F)(F)F)COC(=O)N2CC3=C(C2)CN(C3)C(=O)C4=C(C=C(C=C4)SN)F

DOS

IR

Vibrations