Geometry & MOs

Info

ID:

181010

PubChem CID:

76715521

Reduced:

FN3O6C38H46 (1)

Stoich.:

AB3C6D38E46 (1)

Weight, g/mol:

898.380921

ΔHf, kcal/mol:

-255.93

Dipole, Da:

7.96

IP(EA), eV:

 -8.82(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[2-[1-[2-[(3-fluorophenyl)methyl]non-8-enoyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=C1)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC(=O)N5CC6=C(C5)C(=CC=C6)F)C(=O)O

DOS

IR

Vibrations