Geometry & MOs

Info

ID:

434573

PubChem CID:

135175248

Reduced:

BrSF2N3O6C35H42 (1)

Stoich.:

ABC2D3E6F35G42 (1)

Weight, g/mol:

761.19458

ΔHf, kcal/mol:

-338.27

Dipole, Da:

4.05

IP(EA), eV:

 -9.1(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5

DOS

IR

Vibrations