Geometry & MOs

Info

ID:

313784

PubChem CID:

126617635

Reduced:

FO4N5H24C31 (1)

Stoich.:

AB4C5D24E31 (1)

Weight, g/mol:

600.238413

ΔHf, kcal/mol:

-59.85

Dipole, Da:

11.14

IP(EA), eV:

 -8.45(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-ethyl-N-[3-fluoro-4-[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(N1C)C=CC(=C2)OC)C(=O)NC3=CC(=C(C=C3)OC4=NC=NC5=C4C(=CN5)C6=CC=CC=C6)F

DOS

IR

Vibrations