Geometry & MOs

Info

ID:

187295

PubChem CID:

77556373

Reduced:

ClON3C15H18 (1)

Stoich.:

ABC3D15E18 (1)

Weight, g/mol:

688.361819

ΔHf, kcal/mol:

-4.89

Dipole, Da:

8.51

IP(EA), eV:

 -9.13(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-oxo-1-propan-2-ylquinolin-3-yl) N-[8-[3-[acetyl-[2-[4-(methanesulfonamidomethyl)piperidin-1-yl]ethyl]amino]-2-hydroxypropyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)C1(CCNC1)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations