Geometry & MOs

Info

ID:

445591

PubChem CID:

135268407

Reduced:

FSO2N4C26H27 (1)

Stoich.:

ABC2D4E26F27 (1)

Weight, g/mol:

490.140096

ΔHf, kcal/mol:

40.83

Dipole, Da:

4.47

IP(EA), eV:

 -8.63(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(3Z)-4-fluoro-3-(7-morpholin-4-yl-1H-quinazolin-4-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]-hydroxymethyl]-N-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC/C=C(\C=C\1/CC(=NC(=N1)C#C)C2=C(C=CC(=C2)C(C3=NC=CS3)O)F)/N4CCOCC4

DOS

IR

Vibrations