Geometry & MOs

Info

ID:

434679

PubChem CID:

135175472

Reduced:

SF2N4O6C39H50 (1)

Stoich.:

AB2C4D6E39F50 (1)

Weight, g/mol:

726.326263

ΔHf, kcal/mol:

-306.16

Dipole, Da:

12.91

IP(EA), eV:

 -9.0(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1,1-difluoro-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-oxopropan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CN([C@@H](C(=O)NC1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)OCCN4CCOCC4)(F)F)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations