Geometry & MOs

Info

ID:

321056

PubChem CID:

126664595

Reduced:

ClNO4C23H24 (1)

Stoich.:

ABC4D23E24 (1)

Weight, g/mol:

621.178823

ΔHf, kcal/mol:

-154.78

Dipole, Da:

3.88

IP(EA), eV:

 -9.45(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1O)(CC(=O)N2[C@H](COC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations