Geometry & MOs

Info

ID:

320987

PubChem CID:

126664348

Reduced:

SF4N4O5C35H40 (1)

Stoich.:

AB4C4D5E35F40 (1)

Weight, g/mol:

579.244617

ΔHf, kcal/mol:

-363.36

Dipole, Da:

7.12

IP(EA), eV:

 -9.48(-0.67)

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,9S)-2,2-dihydroxy-2lambda4-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](N2C[C@H]1CCCS2(=O)=O)CCC3=C(C=CC=C3F)NC(=O)[C@H]([C@@H](C4=CC=C(C=C4)F)C5=CC(=CC(=C5)F)F)N

DOS

IR

Vibrations