Geometry & MOs

Info

ID:

434564

PubChem CID:

135175232

Reduced:

N3O3F5C22H28 (1)

Stoich.:

A3B3C5D22E28 (1)

Weight, g/mol:

775.21023

ΔHf, kcal/mol:

-406.9

Dipole, Da:

5.3

IP(EA), eV:

 -9.87(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonyl-methylamino]-3,3-difluoropropanoyl]-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=C(C=C3)C(F)(F)F)(F)F)N

DOS

IR

Vibrations