Geometry & MOs

Info

ID:

218905

PubChem CID:

85090141

Reduced:

ClF2N4O5C24H27 (1)

Stoich.:

AB2C4D5E24F27 (1)

Weight, g/mol:

524.132527

ΔHf, kcal/mol:

-234.14

Dipole, Da:

6.79

IP(EA), eV:

 -9.03(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[[14-[2-(7-chloroquinolin-2-yl)ethenyl]-7-azatricyclo[9.4.0.03,8]pentadeca-1,3,6,8,10,12,14-heptaen-2-yl]sulfanylmethyl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CON=C(C1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)C(C3=CC(=CC(=C3)Cl)OCC(F)F)O)N

DOS

IR

Vibrations