Geometry & MOs

Info

ID:

325903

PubChem CID:

126685491

Reduced:

ClFSO3N5C28H37 (1)

Stoich.:

ABCD3E5F28G37 (1)

Weight, g/mol:

604.289483

ΔHf, kcal/mol:

-113.28

Dipole, Da:

6.26

IP(EA), eV:

 -8.71(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C(CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H](C4(CCNCC4)C5=CC=C(C=C5)Cl)N)S(=O)(=O)C1

DOS

IR

Vibrations