Geometry & MOs

Info

ID:

325863

PubChem CID:

126685334

Reduced:

SF4N4O6C31H32 (1)

Stoich.:

AB4C4D6E31F32 (1)

Weight, g/mol:

636.335685

ΔHf, kcal/mol:

-330.25

Dipole, Da:

11.83

IP(EA), eV:

 -9.23(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)F)C2=CC(=CC(=C2)F)F)C(=O)NC3=C(C(=CC=C3)F)OCC4CNC5CCCS(=O)(=O)N4C5

DOS

IR

Vibrations