Geometry & MOs

Info

ID:

170280

PubChem CID:

75214662

Reduced:

O5C29H48 (1)

Stoich.:

A5B29C48 (1)

Weight, g/mol:

529.26646

ΔHf, kcal/mol:

-307.38

Dipole, Da:

2.69

IP(EA), eV:

 -9.8(1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,3-difluorocyclobutyl)-N-[3-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1(CC2(C(C3C(O2)CC4C3(CC(C5C4CCC6C5(CCC(C6)O)C)O)C)(C)O)OC1(C)C)C

DOS

IR

Vibrations