Geometry & MOs

Info

ID:

434760

PubChem CID:

135175651

Reduced:

SF2N3O7C39H49 (1)

Stoich.:

AB2C3D7E39F49 (1)

Weight, g/mol:

803.24153

ΔHf, kcal/mol:

-374.5

Dipole, Da:

7.51

IP(EA), eV:

 -9.36(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(4-bromophenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonyl-propan-2-ylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)C(C(C(=O)N3CCC(CC3)NC(=O)OC(C)(C)C)NS(=O)(=O)C4=CC=C(C=C4)OCC5CCCCC5)(F)F

DOS

IR

Vibrations