Geometry & MOs

Info

ID:

434649

PubChem CID:

135175405

Reduced:

SN3O4F5C38H38 (1)

Stoich.:

AB3C4D5E38F38 (1)

Weight, g/mol:

827.302748

ΔHf, kcal/mol:

-355.8

Dipole, Da:

6.78

IP(EA), eV:

 -9.16(-1.03)

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-(trifluoromethyl)phenyl]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)NC(C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)C7=CC=C(C=C7)C(F)(F)F)(F)F

DOS

IR

Vibrations