Geometry & MOs

Info

ID:

320950

PubChem CID:

126664287

Reduced:

SF5O5N6C30H33 (1)

Stoich.:

AB5C5D6E30F33 (1)

Weight, g/mol:

618.268748

ΔHf, kcal/mol:

-354.95

Dipole, Da:

7.68

IP(EA), eV:

 -8.87(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2CN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@@H](C4=CC=C(C=C4)F)C5=CN=C(N=C5)C(F)(F)F)NC(=O)O)S(C1)(O)O

DOS

IR

Vibrations