Geometry & MOs

Info

ID:

325871

PubChem CID:

126685355

Reduced:

SF3O3N4C31H39 (1)

Stoich.:

AB3C3D4E31F39 (1)

Weight, g/mol:

654.269891

ΔHf, kcal/mol:

-130.51

Dipole, Da:

2.83

IP(EA), eV:

 -8.16(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[2-[2-[(9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-6-fluoro-3-(4-fluorophenyl)-3-(methoxymethyl)-1-oxohexan-2-yl]carbamate

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)N3CC#C4)N

DOS

IR

Vibrations