Geometry & MOs

Info

ID:

325850

PubChem CID:

126685297

Reduced:

ClN2O2F3H12C15 (1)

Stoich.:

AB2C2D3E12F15 (1)

Weight, g/mol:

620.259933

ΔHf, kcal/mol:

-196.46

Dipole, Da:

3.6

IP(EA), eV:

 -9.74(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-N-[2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]-3-(4-methoxycyclohexyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](C2=CN=C(C=C2)C(F)(F)F)[C@@H](C(=O)O)N)Cl

DOS

IR

Vibrations