Geometry & MOs

Info

ID:

181033

PubChem CID:

76715545

Reduced:

N3O6C41H43 (1)

Stoich.:

A3B6C41D43 (1)

Weight, g/mol:

962.393377

ΔHf, kcal/mol:

-137.68

Dipole, Da:

4.41

IP(EA), eV:

 -9.01(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[2-[4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-[2-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]non-8-enoyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)NC7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations