Geometry & MOs

Info

ID:

176375

PubChem CID:

76039465

Reduced:

F4N12O36C133H166 (1)

Stoich.:

A4B12C36D133E166 (1)

Weight, g/mol:

341.162708

ΔHf, kcal/mol:

-1382.58

Dipole, Da:

9.21

IP(EA), eV:

 -6.84(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-(methoxymethyl)-1-propan-2-yloxyspiro[1H-furo[3,4-b]quinoline-3,2'-3,4-dihydropyran]

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCOCCNC(=O)C1=CC2=CC(=C1)C(=O)NCC3=CC4=CC(=C3F)CNC(=O)C5=CC(=CC(=C5)C(=O)NCC6=C(C(=CC(=C6)C7=CC8=C(C(=C7)CNC(=O)C9=CC(=CC(=C9)C(=O)NC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C)C(=O)NCC1=CC4=CC(=C1F)CNC(=O)C1=CC(=CC(=C1)C(=O)NC8)C(=O)NC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C)F)CNC2=O)F)C(=O)NCCOCCC(=O)OC

DOS

IR

Vibrations