Geometry & MOs

Info

ID:

321050

PubChem CID:

126664575

Reduced:

ClSN4O6C32H51 (1)

Stoich.:

ABC4D6E32F51 (1)

Weight, g/mol:

640.254241

ΔHf, kcal/mol:

-272.61

Dipole, Da:

5.92

IP(EA), eV:

 -8.49(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(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]carbamic acid

Drug info:

PubChemData

Smile

CC1(C[C@@H](CCO1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)N[C@H]3CCCC[C@@H]3CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)NC(=O)O)C

DOS

IR

Vibrations