Geometry & MOs

Info

ID:

181129

PubChem CID:

76715641

Reduced:

SF2N2O5C34H36 (1)

Stoich.:

AB2C2D5E34F36 (1)

Weight, g/mol:

934.362077

ΔHf, kcal/mol:

-225.44

Dipole, Da:

6.67

IP(EA), eV:

 -9.35(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-14-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=CC=CC=C5S4)CC6=CC(=CC(=C6)F)F

DOS

IR

Vibrations