Geometry & MOs

Info

ID:

434635

PubChem CID:

135175376

Reduced:

BrSF3N3O4H27C28 (1)

Stoich.:

ABC3D3E4F27G28 (1)

Weight, g/mol:

811.21023

ΔHf, kcal/mol:

-144.92

Dipole, Da:

9.42

IP(EA), eV:

 -9.54(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(6-bromonaphthalen-2-yl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)[C@H](C(C3=CC=C(C=C3)Br)(F)F)NS(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)F)N

DOS

IR

Vibrations