Geometry & MOs

Info

ID:

320964

PubChem CID:

126664303

Reduced:

ClN4O4C19H25 (1)

Stoich.:

AB4C4D19E25 (1)

Weight, g/mol:

621.255182

ΔHf, kcal/mol:

-112.99

Dipole, Da:

3.1

IP(EA), eV:

 -9.47(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethyloxan-4-yl]-N-[4-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-5-fluoropyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)C(C(=O)OC)N=[N+]=[N-]

DOS

IR

Vibrations