Geometry & MOs

Info

ID:

434586

PubChem CID:

135175261

Reduced:

BrSF2N3O7C37H44 (1)

Stoich.:

ABC2D3E7F37G44 (1)

Weight, g/mol:

517.13878

ΔHf, kcal/mol:

-372.32

Dipole, Da:

7.21

IP(EA), eV:

 -8.88(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[2-amino-3-(4-bromo-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)Br)OC)(F)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations