Geometry & MOs

Info

ID:

434677

PubChem CID:

135175470

Reduced:

BrSF2N3O3C34H48 (1)

Stoich.:

ABC2D3E3F34G48 (1)

Weight, g/mol:

647.203227

ΔHf, kcal/mol:

-191.23

Dipole, Da:

5.36

IP(EA), eV:

 -8.9(-0.25)

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-chloro-3-methoxyphenyl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)CCC(=C)/C=C\C(=C(C)C)/C=C(\C)/S(=O)(=O)N[C@@H](C(=O)N1C2CCC1CC(C2)N(C)C)C(C3=CC=C(C=C3)Br)(F)F

DOS

IR

Vibrations