Geometry & MOs

Info

ID:

427069

PubChem CID:

135155303

Reduced:

SO4N7C25H25 (1)

Stoich.:

AB4C7D25E25 (1)

Weight, g/mol:

661.14215

ΔHf, kcal/mol:

6.88

Dipole, Da:

3.82

IP(EA), eV:

 -8.4(-1.45)

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-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC3=C2SC=C3)NCCC4=CC=C(C=C4)NC5=NC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations