Geometry & MOs

Info

ID:

419789

PubChem CID:

135109062

Reduced:

NO2C9H11 (2)

Stoich.:

AB2C9D11 (2)

Weight, g/mol:

692.333376

ΔHf, kcal/mol:

-108.34

Dipole, Da:

2.77

IP(EA), eV:

 -9.61(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1CC(CCC1CNC2=NOC(=C2C(=O)O)C3=CC=CC=C3)CO

DOS

IR

Vibrations