Geometry & MOs

Info

ID:

82208

PubChem CID:

49855760

Reduced:

ClFSO2N5H23C32 (1)

Stoich.:

ABCD2E5F23G32 (1)

Weight, g/mol:

605.162995

ΔHf, kcal/mol:

31.81

Dipole, Da:

5.57

IP(EA), eV:

 -8.6(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-(2-aminophenyl)-3-[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl

DOS

IR

Vibrations