Geometry & MOs

Info

ID:

128338

PubChem CID:

51040471

Reduced:

O6C19H22 (1)

Stoich.:

A6B19C22 (1)

Weight, g/mol:

956.322418

ΔHf, kcal/mol:

-200.77

Dipole, Da:

2.65

IP(EA), eV:

 -8.42(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,6S,7Z,14S,18R)-14-[4-fluoro-3-(trifluoromethoxy)anilino]-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/[C@@H](C2=CC(=C(C=C2)O)OC)[C@@H](CO)O)O

DOS

IR

Vibrations