Geometry & MOs

Info

ID:

434783

PubChem CID:

135175704

Reduced:

ClSF2N3O6C34H40 (1)

Stoich.:

ABC2D3E6F34G40 (1)

Weight, g/mol:

781.287625

ΔHf, kcal/mol:

-347.44

Dipole, Da:

7.2

IP(EA), eV:

 -9.15(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-[4-(4-chlorophenyl)phenyl]-2-[[1-(cyclopentylmethyl)indazol-5-yl]sulfonylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)Cl)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations