Geometry & MOs

Info

ID:

434689

PubChem CID:

135175484

Reduced:

SF2N2O7C42H52 (1)

Stoich.:

AB2C2D7E42F52 (1)

Weight, g/mol:

652.27825

ΔHf, kcal/mol:

-376.95

Dipole, Da:

9.23

IP(EA), eV:

 -9.19(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-bicyclo[3.2.1]octanyl)-1,1-difluoro-3-oxo-1-(3-phenoxyphenyl)propan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=CC(=C2)C(C(C(=O)C3C4CCC3CC(C4)NC(=O)OC(C)(C)C)NS(=O)(=O)C5=CC=C(C=C5)OCC6CCCCC6)(F)F

DOS

IR

Vibrations