Geometry & MOs

Info

ID:

320956

PubChem CID:

126664293

Reduced:

SO3F4N4C29H36 (1)

Stoich.:

AB3C4D4E29F36 (1)

Weight, g/mol:

659.206849

ΔHf, kcal/mol:

-275.53

Dipole, Da:

10.27

IP(EA), eV:

 -8.95(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-N-[4-[2-[(6R,9S)-2,2-dihydroxy-2lambda4-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-5-fluoropyridin-3-yl]-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CC2CN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H](C4(CCC(CC4)(F)F)C5=CC=C(C=C5)F)N)S(=O)(=O)C1

DOS

IR

Vibrations