Geometry & MOs

Info

ID:

434639

PubChem CID:

135175391

Reduced:

ISF2N3O4C31H34 (1)

Stoich.:

ABC2D3E4F31G34 (1)

Weight, g/mol:

777.305942

ΔHf, kcal/mol:

-195.86

Dipole, Da:

5.32

IP(EA), eV:

 -9.1(-1.06)

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-[4-(4-fluorophenyl)phenyl]propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)I)(F)F

DOS

IR

Vibrations