Geometry & MOs

Info

ID:

163386

PubChem CID:

57922652

Reduced:

OC14H18 (2)

Stoich.:

AB14C18 (2)

Weight, g/mol:

654.246533

ΔHf, kcal/mol:

-99.52

Dipole, Da:

5.31

IP(EA), eV:

 -8.99(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,6R,7Z,14S,18R)-14-[4-fluoro-3-(trifluoromethyl)anilino]-18-isoquinolin-1-yloxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)CCC2CCC(CC2)C3=CC4=C(CC(OC4=O)CC)C=C3

DOS

IR

Vibrations