Geometry & MOs

Info

ID:

434566

PubChem CID:

135175239

Reduced:

BrSF2N3O4C32H36 (1)

Stoich.:

ABC2D3E4F32G36 (1)

Weight, g/mol:

761.19458

ΔHf, kcal/mol:

-210.3

Dipole, Da:

10.68

IP(EA), eV:

 -9.16(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]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)OC6CCCC6

DOS

IR

Vibrations