Geometry & MOs

Info

ID:

427326

PubChem CID:

135157199

Reduced:

ClSN8O8C49H57 (1)

Stoich.:

ABC8D8E49F57 (1)

Weight, g/mol:

597.188935

ΔHf, kcal/mol:

-229.12

Dipole, Da:

4.17

IP(EA), eV:

 -8.42(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[2-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOC4=CC=C(C=C4)C5=CC6=C(N5)N=CN=C6NCC7=CC=CC=C7Cl)O

DOS

IR

Vibrations