Geometry & MOs

Info

ID:

434678

PubChem CID:

135175471

Reduced:

ClSF2N3O5C32H36 (1)

Stoich.:

ABC2D3E5F32G36 (1)

Weight, g/mol:

740.341913

ΔHf, kcal/mol:

-266.72

Dipole, Da:

7.94

IP(EA), eV:

 -9.03(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-(3-amino-8-bicyclo[3.2.1]octanyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonyl-methylamino]-3,3-difluoro-3-[4-(2-morpholin-4-ylethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(C(C(=O)N2C3CCC2CC(C3)N)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6)(F)F)Cl

DOS

IR

Vibrations