Geometry & MOs

Info

ID:

434650

PubChem CID:

135175406

Reduced:

SN3F5O6C43H46 (1)

Stoich.:

AB3C5D6E43F46 (1)

Weight, g/mol:

473.189291

ΔHf, kcal/mol:

-475.02

Dipole, Da:

7.52

IP(EA), eV:

 -9.24(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]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)C(F)(F)F)(F)F)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations