Geometry & MOs

Info

ID:

434751

PubChem CID:

135175632

Reduced:

BrSF2N3O4C33H38 (1)

Stoich.:

ABC2D3E4F33G38 (1)

Weight, g/mol:

506.295614

ΔHf, kcal/mol:

-215.79

Dipole, Da:

9.26

IP(EA), eV:

 -8.78(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3-(4-cyclohexyloxyphenyl)-3,3-difluoropropanoyl]-3-bicyclo[3.2.1]octanyl]carbamate

Drug info:

PubChemData

Smile

CN([C@@H](C(=O)N1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)Br)(F)F)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCCC6

DOS

IR

Vibrations