Geometry & MOs

Info

ID:

321011

PubChem CID:

126664421

Reduced:

SN3O4C15H27 (1)

Stoich.:

AB3C4D15E27 (1)

Weight, g/mol:

608.263269

ΔHf, kcal/mol:

-161.97

Dipole, Da:

4.05

IP(EA), eV:

 -9.25(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(2,3-dihydro-1H-inden-5-yl)-N-[2-[2-(2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl]-3-fluorophenyl]-3-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)N)CCC2CN(C3CCCS(=O)(=O)N2C3)C(=O)O

DOS

IR

Vibrations