Geometry & MOs

Info

ID:

325902

PubChem CID:

126685489

Reduced:

ClFSO4N5C28H39 (1)

Stoich.:

ABCD4E5F28G39 (1)

Weight, g/mol:

577.228967

ΔHf, kcal/mol:

-186.21

Dipole, Da:

2.59

IP(EA), eV:

 -9.1(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4-(4-chlorophenyl)piperidin-4-yl]-N-[2-[2-[(6R)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCNC[C@@H]1CCC2=C(C=NC=C2NC(=O)[C@H](C(C3CCOCC3)C4=CC=C(C=C4)Cl)N)F

DOS

IR

Vibrations