Geometry & MOs

Info

ID:

325886

PubChem CID:

126685438

Reduced:

ClN2O4C18H25 (1)

Stoich.:

AB2C4D18E25 (1)

Weight, g/mol:

650.270498

ΔHf, kcal/mol:

-195.42

Dipole, Da:

6.92

IP(EA), eV:

 -9.68(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 9-[2-[2-[[(2S,3R)-2-amino-3-(4-chlorophenyl)-4-methylpentanoyl]amino]-6-fluorophenyl]ethyl]-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)[C@@H](C(=O)O)N

DOS

IR

Vibrations