Geometry & MOs

Info

ID:

402158

PubChem CID:

135054681

Reduced:

ClNF2O2H14C15 (1)

Stoich.:

ABC2D2E14F15 (1)

Weight, g/mol:

774.341084

ΔHf, kcal/mol:

-163.64

Dipole, Da:

6.02

IP(EA), eV:

 -9.1(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,6S,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=CC=C(C=C2)F)[C@@H](C(=O)O)[NH3+])F.[Cl-]

DOS

IR

Vibrations