Geometry & MOs

Info

ID:

320982

PubChem CID:

126664333

Reduced:

ClFSN4O4C32H44 (1)

Stoich.:

ABCD4E4F32G44 (1)

Weight, g/mol:

664.249762

ΔHf, kcal/mol:

-212.31

Dipole, Da:

10.42

IP(EA), eV:

 -8.7(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S)-1-(4-chlorophenyl)-1-(6,6-dimethyloxan-3-yl)-3-[2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoroanilino]-3-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C1CC(CCO1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CCC4CNC5CCCS(=O)(=O)N4C5)N

DOS

IR

Vibrations