Geometry & MOs

Info

ID:

320975

PubChem CID:

126664321

Reduced:

ClFSN4O5C30H42 (1)

Stoich.:

ABCD4E5F30G42 (1)

Weight, g/mol:

644.234781

ΔHf, kcal/mol:

-229.41

Dipole, Da:

7.38

IP(EA), eV:

 -8.61(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-N-[4-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-5-fluoropyridin-3-yl]-3-(6-propan-2-yloxypyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C1=CC=C(C=C1)Cl)[C@@H](C(=O)NC2=C(C(=CC=C2)F)CCC3CNC4CCCS(N3C4)(O)O)NC(=O)O

DOS

IR

Vibrations