Geometry & MOs

Info

ID:

184742

PubChem CID:

77201710

Reduced:

SN2F3O4C22H29 (1)

Stoich.:

AB2C3D4E22F29 (1)

Weight, g/mol:

593.201871

ΔHf, kcal/mol:

-308.49

Dipole, Da:

8.83

IP(EA), eV:

 -8.79(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-N-(2-methoxyethyl)-N-methyl-2-oxoethanesulfonamide;but-2-enedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)NC(CC1=CC(=C(C=C1F)F)F)C2CC3CCC(C2)N3C(=O)CC(=O)O

DOS

IR

Vibrations