Geometry & MOs

Info

ID:

434574

PubChem CID:

135175249

Reduced:

BrSF2N3O6C36H42 (1)

Stoich.:

ABC2D3E6F36G42 (1)

Weight, g/mol:

759.315364

ΔHf, kcal/mol:

-324.9

Dipole, Da:

6.56

IP(EA), eV:

 -8.97(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC(=CC=C3)Br)(F)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations