Geometry & MOs

Info

ID:

321020

PubChem CID:

126664452

Reduced:

SF2N4O6C32H44 (1)

Stoich.:

AB2C4D6E32F44 (1)

Weight, g/mol:

648.279313

ΔHf, kcal/mol:

-313.53

Dipole, Da:

4.46

IP(EA), eV:

 -8.54(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-[2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-1-(4-fluorophenyl)-3-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H](O1)C)C(C2=CC=C(C=C2)F)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)NC(=O)O

DOS

IR

Vibrations