Geometry & MOs

Info

ID:

446646

PubChem CID:

135276615

Reduced:

NPS2O4C21H42 (1)

Stoich.:

ABC2D4E21F42 (1)

Weight, g/mol:

736.394833

ΔHf, kcal/mol:

-303.55

Dipole, Da:

2.26

IP(EA), eV:

 -8.77(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[3-[[3-ethoxycarbonyl-6-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]quinolin-8-yl]methyl]-2-oxopyrrolidin-1-yl]propylamino]-6,8-dimethylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CP(=O)(OC(C)(C)C)SCCSC(=O)C(C)(C)CCN1CCOCC1

DOS

IR

Vibrations