Geometry & MOs

Info

ID:

325914

PubChem CID:

126685540

Reduced:

FSN4O4C30H47 (1)

Stoich.:

ABC4D4E30F47 (1)

Weight, g/mol:

580.228633

ΔHf, kcal/mol:

-213.59

Dipole, Da:

5.96

IP(EA), eV:

 -9.36(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4-chlorophenyl)-N-[2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-4-fluorocyclopenta-1,4-dien-1-yl]-3-(oxan-4-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H](O1)C)C(C2=CC=C(C=C2)F)[C@@H](C(=O)N[C@H]3CCC[C@@H]3CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)N

DOS

IR

Vibrations