Geometry & MOs

Info

ID:

427320

PubChem CID:

135157074

Reduced:

F2N3O9C36H37 (1)

Stoich.:

A2B3C9D36E37 (1)

Weight, g/mol:

617.24164

ΔHf, kcal/mol:

-352.32

Dipole, Da:

6.26

IP(EA), eV:

 -8.62(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[[4-[[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-4-oxobut-2-enyl]-methylamino]ethoxy]ethoxy]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1OCCCOCCCOCCC(=O)O)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F

DOS

IR

Vibrations