Geometry & MOs

Info

ID:

434508

PubChem CID:

135175093

Reduced:

FN7O8C52H70 (1)

Stoich.:

AB7C8D52E70 (1)

Weight, g/mol:

1024.342142

ΔHf, kcal/mol:

-342.47

Dipole, Da:

3.78

IP(EA), eV:

 -8.35(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[2-[2-[2-[2-[[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]ethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-6-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCN(CC2)C3CCN(CC3)CCCOCCCCNC4=CC=CC5=C4C(=O)N(C5)C(C)C6=C(C=CC(=C6)F)OC7CCCCO7)C(=O)N(C=O)C(CCC=O)C(=O)NC

DOS

IR

Vibrations