Geometry & MOs

Info

ID:

434967

PubChem CID:

135176080

Reduced:

SF2N2O5C37H50 (1)

Stoich.:

AB2C2D5E37F50 (1)

Weight, g/mol:

773.388529

ΔHf, kcal/mol:

-312.83

Dipole, Da:

7.44

IP(EA), eV:

 -8.89(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3,3-difluoro-3-[4-(4-methylcyclohexyl)oxyphenyl]propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)NC(C(=O)C3C4CCC(C3CC4)CN)C(C5=CC=C(C=C5)OC6CCCCC6)(F)F

DOS

IR

Vibrations