Geometry & MOs

Info

ID:

325870

PubChem CID:

126685354

Reduced:

SF3N4O4C29H39 (1)

Stoich.:

AB3C4D4E29F39 (1)

Weight, g/mol:

604.269497

ΔHf, kcal/mol:

-254.57

Dipole, Da:

7.43

IP(EA), eV:

 -8.91(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-6-fluoro-N-[3-fluoro-2-[2-[(9S)-2-oxo-2lambda4-thia-1,7-diazabicyclo[4.3.3]dodec-11-yn-9-yl]ethyl]phenyl]-3-(4-fluorophenyl)-3-(methoxymethyl)hexanamide

Drug info:

PubChemData

Smile

COCC(CCCF)(C1=CC=C(C=C1)F)[C@@H](C(=O)NC2=C(C(=CC=C2)F)CC[C@H]3CNC4CCCS(=O)(=O)N3C4)N

DOS

IR

Vibrations