Geometry & MOs

Info

ID:

434640

PubChem CID:

135175393

Reduced:

SF3N3O6C42H46 (1)

Stoich.:

AB3C3D6E42F46 (1)

Weight, g/mol:

770.296793

ΔHf, kcal/mol:

-358.85

Dipole, Da:

5.5

IP(EA), eV:

 -9.14(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-[4-(4-chlorophenyl)phenyl]-2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]-3,3-difluoropropanoyl]-3-bicyclo[3.2.1]octanyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)C4=CC=C(C=C4)F)(F)F)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations