Geometry & MOs

Info

ID:

181195

PubChem CID:

76715708

Reduced:

SN3O8C39H47 (1)

Stoich.:

AB3C8D39E47 (1)

Weight, g/mol:

912.396571

ΔHf, kcal/mol:

-224.23

Dipole, Da:

4.04

IP(EA), eV:

 -8.77(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[2-[1-[2-[(4-fluoro-3-methylphenyl)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)OC(=O)CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=C(S4)C=C(C=C5)OC)C(=O)NOC6=CC=CC=C6

DOS

IR

Vibrations