Geometry & MOs

Info

ID:

325913

PubChem CID:

126685533

Reduced:

SF4N4O5C31H36 (1)

Stoich.:

AB4C4D5E31F36 (1)

Weight, g/mol:

578.330205

ΔHf, kcal/mol:

-330.24

Dipole, Da:

10.02

IP(EA), eV:

 -9.19(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]([C@@H](C1CC(C1)(F)F)C2=CC=C(C=C2)F)C(=O)NC3=C(C(=CC=C3)F)CCC4CNC(CCCS(=O)(=O)N4)C#C

DOS

IR

Vibrations