Geometry & MOs

Info

ID:

434753

PubChem CID:

135175640

Reduced:

FNOC11H15 (2)

Stoich.:

ABCD11E15 (2)

Weight, g/mol:

794.37763

ΔHf, kcal/mol:

-199.65

Dipole, Da:

4.36

IP(EA), eV:

 -9.06(0.05)

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-methylcyclohexyl)oxyphenyl]propanoyl]-3-bicyclo[3.2.1]octanyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CC=C(C=C2)C(CC(=O)N3C4CCC3CC(C4)N)(F)F

DOS

IR

Vibrations