Geometry & MOs

Info

ID:

164316

PubChem CID:

74382836

Reduced:

S2N5O7C32H39 (1)

Stoich.:

A2B5C7D32E39 (1)

Weight, g/mol:

870.30807

ΔHf, kcal/mol:

-219.34

Dipole, Da:

8.29

IP(EA), eV:

 -8.77(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl N-[1-[2-[[1-(benzenesulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-7-methoxyquinolin-4-yl]oxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C

DOS

IR

Vibrations